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PubMed code 16509585

Compile data set for download or QSAR
Found 71 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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 2a BK NS5B deltaC21 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC21 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 3a BK NS5B deltaC21 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183509
PNG
(5,6-dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O6S/c13-5-4(9(15)16)10-7(11-8(5)14)6-3(12(17)18)1-2-19-6/h1-2,13H,(H,15,16)(H,10,11,14)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183482
PNG
(2-[3-({[(2-chlorobenzyl)amino]carbonyl}amino)-2-th...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1sccc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c1-22-14(21-11(16(25)26)12(23)15(22)24)13-10(6-7-28-13)20-17(27)19-9-5-3-2-4-8(9)18/h2-7,23H,1H3,(H,25,26)(H2,19,20,27)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183496
PNG
(5,6-dihydroxy-2-{3-[(1H-indol-3-ylacetyl)amino]-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H14N4O5S/c24-13(7-9-8-20-11-4-2-1-3-10(9)11)21-12-5-6-29-16(12)17-22-14(19(27)28)15(25)18(26)23-17/h1-6,8,20,25H,7H2,(H,21,24)(H,27,28)(H,22,23,26)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183499
PNG
(2-(3-{[(2-chlorophenyl)acetyl]amino}-2-thienyl)-5,...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C17H12ClN3O5S/c18-9-4-2-1-3-8(9)7-11(22)19-10-5-6-27-14(10)15-20-12(17(25)26)13(23)16(24)21-15/h1-6,23H,7H2,(H,19,22)(H,25,26)(H,20,21,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183486
PNG
(5,6-dihydroxy-2-(1,3-thiazol-2-yl)pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1nccs1
Show InChI InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183510
PNG
(2-(3-{[(benzylamino)carbonyl]amino}-2-thienyl)-5,6...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1
Show InChI InChI=1S/C17H14N4O5S/c22-12-11(16(24)25)20-14(21-15(12)23)13-10(6-7-27-13)19-17(26)18-8-9-4-2-1-3-5-9/h1-7,22H,8H2,(H,24,25)(H2,18,19,26)(H,20,21,23)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183504
PNG
(2-{3-[(1-benzothien-3-ylacetyl)amino]-2-thienyl}-5...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C19H13N3O5S2/c23-13(7-9-8-29-12-4-2-1-3-10(9)12)20-11-5-6-28-16(11)17-21-14(19(26)27)15(24)18(25)22-17/h1-6,8,24H,7H2,(H,20,23)(H,26,27)(H,21,22,25)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183493
PNG
(2-(2-furyl)-5,6-dihydroxypyrimidine-4-carboxylic a...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccco1
Show InChI InChI=1S/C9H6N2O5/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183498
PNG
(5,6-dihydroxy-2-(3-{[(2-phenyl-1H-indol-3-yl)acety...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H18N4O5S/c30-18(12-15-14-8-4-5-9-16(14)27-19(15)13-6-2-1-3-7-13)26-17-10-11-35-22(17)23-28-20(25(33)34)21(31)24(32)29-23/h1-11,27,31H,12H2,(H,26,30)(H,33,34)(H,28,29,32)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183502
PNG
(2-(3-{[(benzyloxy)carbonyl]amino}-2-thienyl)-5,6-d...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H13N3O6S/c21-12-11(16(23)24)19-14(20-15(12)22)13-10(6-7-27-13)18-17(25)26-8-9-4-2-1-3-5-9/h1-7,21H,8H2,(H,18,25)(H,23,24)(H,19,20,22)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183487
PNG
(2-[3-({[(2-chlorobenzyl)oxy]carbonyl}amino)-2-thie...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C17H12ClN3O6S/c18-9-4-2-1-3-8(9)7-27-17(26)19-10-5-6-28-13(10)14-20-11(16(24)25)12(22)15(23)21-14/h1-6,22H,7H2,(H,19,26)(H,24,25)(H,20,21,23)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183514
PNG
(5,6-dihydroxy-2-{3-[(phenylacetyl)amino]-2-thienyl...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13N3O5S/c21-11(8-9-4-2-1-3-5-9)18-10-6-7-26-14(10)15-19-12(17(24)25)13(22)16(23)20-15/h1-7,22H,8H2,(H,18,21)(H,24,25)(H,19,20,23)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153254
PNG
(5,6-dihydroxy-1-methyl-2-thiophen-2-yl-pyrimidine-...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1cccs1
Show InChI InChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183479
PNG
(5,6-dihydroxy-2-{3-[(3-phenylpropanoyl)amino]-2-th...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C18H15N3O5S/c22-12(7-6-10-4-2-1-3-5-10)19-11-8-9-27-15(11)16-20-13(18(25)26)14(23)17(24)21-16/h1-5,8-9,23H,6-7H2,(H,19,22)(H,25,26)(H,20,21,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183490
PNG
(5,6-dihydroxy-2-[3-({[(2-phenylethyl)amino]carbony...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H16N4O5S/c23-13-12(17(25)26)21-15(22-16(13)24)14-11(7-9-28-14)20-18(27)19-8-6-10-4-2-1-3-5-10/h1-5,7,9,23H,6,8H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183509
PNG
(5,6-dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O6S/c13-5-4(9(15)16)10-7(11-8(5)14)6-3(12(17)18)1-2-19-6/h1-2,13H,(H,15,16)(H,10,11,14)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183509
PNG
(5,6-dihydroxy-2-(3-nitro-2-thienyl)pyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O6S/c13-5-4(9(15)16)10-7(11-8(5)14)6-3(12(17)18)1-2-19-6/h1-2,13H,(H,15,16)(H,10,11,14)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183486
PNG
(5,6-dihydroxy-2-(1,3-thiazol-2-yl)pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1nccs1
Show InChI InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183486
PNG
(5,6-dihydroxy-2-(1,3-thiazol-2-yl)pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1nccs1
Show InChI InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183487
PNG
(2-[3-({[(2-chlorobenzyl)oxy]carbonyl}amino)-2-thie...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C17H12ClN3O6S/c18-9-4-2-1-3-8(9)7-27-17(26)19-10-5-6-28-13(10)14-20-11(16(24)25)12(22)15(23)21-14/h1-6,22H,7H2,(H,19,26)(H,24,25)(H,20,21,23)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183482
PNG
(2-[3-({[(2-chlorobenzyl)amino]carbonyl}amino)-2-th...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1sccc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c1-22-14(21-11(16(25)26)12(23)15(22)24)13-10(6-7-28-13)20-17(27)19-9-5-3-2-4-8(9)18/h2-7,23H,1H3,(H,25,26)(H2,19,20,27)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183482
PNG
(2-[3-({[(2-chlorobenzyl)amino]carbonyl}amino)-2-th...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1sccc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c1-22-14(21-11(16(25)26)12(23)15(22)24)13-10(6-7-28-13)20-17(27)19-9-5-3-2-4-8(9)18/h2-7,23H,1H3,(H,25,26)(H2,19,20,27)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183512
PNG
(5,6-dihydroxy-2-{3-[(2-naphthylsulfonyl)amino]-2-t...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H13N3O6S2/c23-15-14(19(25)26)20-17(21-18(15)24)16-13(7-8-29-16)22-30(27,28)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22-23H,(H,25,26)(H,20,21,24)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183489
PNG
((3-amino-2-thienyl)-5,6-dihydroxypyrimidine-4-carb...)
Show SMILES Nc1ccsc1-c1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C9H7N3O4S/c10-3-1-2-17-6(3)7-11-4(9(15)16)5(13)8(14)12-7/h1-2,13H,10H2,(H,15,16)(H,11,12,14)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM33414
PNG
(CHEMBL440562 | pyrimidinol carboxylic acid, 6)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183507
PNG
(5,6-dihydroxy-2-(methylsulfonyl)pyrimidine-4-carbo...)
Show SMILES CS(=O)(=O)c1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C6H6N2O6S/c1-15(13,14)6-7-2(5(11)12)3(9)4(10)8-6/h9H,1H3,(H,11,12)(H,7,8,10)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183486
PNG
(5,6-dihydroxy-2-(1,3-thiazol-2-yl)pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1nccs1
Show InChI InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)
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n/an/a 2.77E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183493
PNG
(2-(2-furyl)-5,6-dihydroxypyrimidine-4-carboxylic a...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccco1
Show InChI InChI=1S/C9H6N2O5/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183493
PNG
(2-(2-furyl)-5,6-dihydroxypyrimidine-4-carboxylic a...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccco1
Show InChI InChI=1S/C9H6N2O5/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153254
PNG
(5,6-dihydroxy-1-methyl-2-thiophen-2-yl-pyrimidine-...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1cccs1
Show InChI InChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153254
PNG
(5,6-dihydroxy-1-methyl-2-thiophen-2-yl-pyrimidine-...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1cccs1
Show InChI InChI=1S/C10H8N2O4S/c1-12-8(5-3-2-4-17-5)11-6(10(15)16)7(13)9(12)14/h2-4,13H,1H3,(H,15,16)
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n/an/a 4.70E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183503
PNG
(5,6-dihydroxy-2-pyrazin-2-ylpyrimidine-4-carboxyli...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1
Show InChI InChI=1S/C9H6N4O4/c14-6-5(9(16)17)12-7(13-8(6)15)4-3-10-1-2-11-4/h1-3,14H,(H,16,17)(H,12,13,15)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183501
PNG
(5,6-dihydroxy-2-(3-methyl-2-thienyl)pyrimidine-4-c...)
Show SMILES Cc1ccsc1-c1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C10H8N2O4S/c1-4-2-3-17-7(4)8-11-5(10(15)16)6(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)
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n/an/a 5.60E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183500
PNG
(5-hydroxy-1-methyl-2-(3-nitrothien-2-yl)-6-oxo-1,6...)
Show SMILES Cn1c(nc(C(O)=O)c(O)c1=O)-c1sccc1[N+]([O-])=O
Show InChI InChI=1S/C10H7N3O6S/c1-12-8(7-4(13(18)19)2-3-20-7)11-5(10(16)17)6(14)9(12)15/h2-3,14H,1H3,(H,16,17)
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n/an/a 8.70E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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n/an/a 9.30E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183491
PNG
(5,6-dihydroxy-2-(4-nitro-2-thienyl)pyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cc(cs1)[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O6S/c13-6-5(9(15)16)10-7(11-8(6)14)4-1-3(2-19-4)12(17)18/h1-2,13H,(H,15,16)(H,10,11,14)
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n/an/a 9.40E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183485
PNG
(2-(1-benzothien-2-yl)-5,6-dihydroxypyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cc2ccccc2s1
Show InChI InChI=1S/C13H8N2O4S/c16-10-9(13(18)19)14-11(15-12(10)17)8-5-6-3-1-2-4-7(6)20-8/h1-5,16H,(H,18,19)(H,14,15,17)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183513
PNG
(5,6-dihydroxy-2-{4-[(2-thienylcarbonyl)amino]-2-th...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cc(NC(=O)c2cccs2)cs1
Show InChI InChI=1S/C14H9N3O5S2/c18-10-9(14(21)22)16-11(17-13(10)20)8-4-6(5-24-8)15-12(19)7-2-1-3-23-7/h1-5,18H,(H,15,19)(H,21,22)(H,16,17,20)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183486
PNG
(5,6-dihydroxy-2-(1,3-thiazol-2-yl)pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1nccs1
Show InChI InChI=1S/C8H5N3O4S/c12-4-3(8(14)15)10-5(11-6(4)13)7-9-1-2-16-7/h1-2,12H,(H,14,15)(H,10,11,13)
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n/an/a 1.60E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183483
PNG
(5,6-dihydroxy-2-(5-nitro-2-thienyl)pyrimidine-4-ca...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C9H5N3O6S/c13-6-5(9(15)16)10-7(11-8(6)14)3-1-2-4(19-3)12(17)18/h1-2,13H,(H,15,16)(H,10,11,14)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183484
PNG
(2-cyclohexyl-5,6-dihydroxypyrimidine-4-carboxylic ...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)C1CCCCC1
Show InChI InChI=1S/C11H14N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h6,14H,1-5H2,(H,16,17)(H,12,13,15)
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n/an/a>2.50E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM33414
PNG
(CHEMBL440562 | pyrimidinol carboxylic acid, 6)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
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n/an/a 3.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM33414
PNG
(CHEMBL440562 | pyrimidinol carboxylic acid, 6)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
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n/an/a 3.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183488
PNG
(5,6-dihydroxy-2-(5-methyl-2-thienyl)pyrimidine-4-c...)
Show SMILES Cc1ccc(s1)-c1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C10H8N2O4S/c1-4-2-3-5(17-4)8-11-6(10(15)16)7(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)
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n/an/a 4.86E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183484
PNG
(2-cyclohexyl-5,6-dihydroxypyrimidine-4-carboxylic ...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)C1CCCCC1
Show InChI InChI=1S/C11H14N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h6,14H,1-5H2,(H,16,17)(H,12,13,15)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183484
PNG
(2-cyclohexyl-5,6-dihydroxypyrimidine-4-carboxylic ...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)C1CCCCC1
Show InChI InChI=1S/C11H14N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h6,14H,1-5H2,(H,16,17)(H,12,13,15)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM33415
PNG
(CHEMBL204900 | pyrimidinol carboxylic acid, 7)
Show SMILES OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
Show InChI InChI=1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183505
PNG
(2-butyl-5,6-dihydroxypyrimidine-4-carboxylic acid ...)
Show SMILES CCCCc1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C9H12N2O4/c1-2-3-4-5-10-6(9(14)15)7(12)8(13)11-5/h12H,2-4H2,1H3,(H,14,15)(H,10,11,13)
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P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183506
PNG
(1-allyl-5-hydroxy-2-(3-nitro-2-thienyl)-6-oxo-1,6-...)
Show SMILES OC(=O)c1nc(-c2sccc2[N+]([O-])=O)n(CC=C)c(=O)c1O
Show InChI InChI=1S/C12H9N3O6S/c1-2-4-14-10(9-6(15(20)21)3-5-22-9)13-7(12(18)19)8(16)11(14)17/h2-3,5,16H,1,4H2,(H,18,19)
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n/an/a 6.93E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183511
PNG
(1-benzyl-5-hydroxy-2-(3-nitro-2-thienyl)-6-oxo-1,6...)
Show SMILES OC(=O)c1nc(-c2sccc2[N+]([O-])=O)n(Cc2ccccc2)c(=O)c1O
Show InChI InChI=1S/C16H11N3O6S/c20-12-11(16(22)23)17-14(13-10(19(24)25)6-7-26-13)18(15(12)21)8-9-4-2-1-3-5-9/h1-7,20H,8H2,(H,22,23)
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n/an/a 7.93E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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n/an/a 9.20E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183487
PNG
(2-[3-({[(2-chlorobenzyl)oxy]carbonyl}amino)-2-thie...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1ccccc1Cl
Show InChI InChI=1S/C17H12ClN3O6S/c18-9-4-2-1-3-8(9)7-27-17(26)19-10-5-6-28-13(10)14-20-11(16(24)25)12(22)15(23)21-14/h1-6,22H,7H2,(H,19,26)(H,24,25)(H,20,21,23)
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n/an/an/an/a 3.15E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183497
PNG
(5,6-dihydroxy-2-(3-{[(1-naphthylmethoxy)carbonyl]a...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1cccc2ccccc12
Show InChI InChI=1S/C21H15N3O6S/c25-16-15(20(27)28)23-18(24-19(16)26)17-14(8-9-31-17)22-21(29)30-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,25H,10H2,(H,22,29)(H,27,28)(H,23,24,26)
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n/an/an/an/a 1.36E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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n/an/an/an/a 9.30E+3n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183508
PNG
(5,6-dihydroxy-2-(3-{[(2-phenylethoxy)carbonyl]amin...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCCc1ccccc1
Show InChI InChI=1S/C18H15N3O6S/c22-13-12(17(24)25)20-15(21-16(13)23)14-11(7-9-28-14)19-18(26)27-8-6-10-4-2-1-3-5-10/h1-5,7,9,22H,6,8H2,(H,19,26)(H,24,25)(H,20,21,23)
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n/an/an/an/a>5.00E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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n/an/an/an/a 3.10E+3n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of replication of HCV 1b BK RNA in Huh7 cells


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183494
PNG
(2-[3-({[(2,6-dichlorobenzyl)oxy]carbonyl}amino)-2-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O6S/c18-8-2-1-3-9(19)7(8)6-28-17(27)20-10-4-5-29-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-5,23H,6H2,(H,20,27)(H,25,26)(H,21,22,24)
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n/an/an/an/a 1.86E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183495
PNG
(2-[3-({[(1-benzothien-3-ylmethyl)amino]carbonyl}am...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C19H14N4O5S2/c24-14-13(18(26)27)22-16(23-17(14)25)15-11(5-6-29-15)21-19(28)20-7-9-8-30-12-4-2-1-3-10(9)12/h1-6,8,24H,7H2,(H,26,27)(H2,20,21,28)(H,22,23,25)
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n/an/an/an/a 3.00E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183492
PNG
(2-{3-[(anilinocarbonyl)amino]-2-thienyl}-5,6-dihyd...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H12N4O5S/c21-11-10(15(23)24)19-13(20-14(11)22)12-9(6-7-26-12)18-16(25)17-8-4-2-1-3-5-8/h1-7,21H,(H,23,24)(H2,17,18,25)(H,19,20,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158845
PNG
(2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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n/an/an/an/a 9.30E+3n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of replication of HCV 1b BK RNA in Huh7 cells


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183480
PNG
(2-[3-({[(2-chloro-6-methylbenzyl)amino]carbonyl}am...)
Show SMILES Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1-c1nc(C(O)=O)c(O)c(=O)[nH]1
Show InChI InChI=1S/C18H15ClN4O5S/c1-8-3-2-4-10(19)9(8)7-20-18(28)21-11-5-6-29-14(11)15-22-12(17(26)27)13(24)16(25)23-15/h2-6,24H,7H2,1H3,(H,26,27)(H2,20,21,28)(H,22,23,25)
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n/an/an/an/a 1.36E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50183481
PNG
(2-[3-(benzoylamino)-2-thienyl]-5,6-dihydroxypyrimi...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C16H11N3O5S/c20-11-10(16(23)24)18-13(19-15(11)22)12-9(6-7-25-12)17-14(21)8-4-2-1-3-5-8/h1-7,20H,(H,17,21)(H,23,24)(H,18,19,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%