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PubMed code 16854079

Compile data set for download or QSAR
Found 57 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)
BDBM50191533
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-40(2)35(42)23-10-15-29(22-8-12-26(37)13-9-22)25(18-23)21-45-28-14-16-30(31(38)20-28)34-39-32-19-24(36(43)44)11-17-33(32)41(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191541
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-38-34(41)22-9-14-28(21-7-11-25(36)12-8-21)24(17-22)20-44-27-13-15-29(30(37)19-27)33-39-31-18-23(35(42)43)10-16-32(31)40(33)26-5-3-2-4-6-26/h7-19,26H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191505
PNG
(2-[4-(4-carbamoyl-4'-chlorobiphenyl-2-ylmethoxy)ph...)
Show SMILES NC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30ClN3O4/c35-26-12-6-21(7-13-26)29-16-10-23(32(36)39)18-25(29)20-42-28-14-8-22(9-15-28)33-37-30-19-24(34(40)41)11-17-31(30)38(33)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H2,36,39)(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191549
PNG
(2-[4-(4'-chloro-4-isopropylcarbamoylbiphenyl-2-ylm...)
Show SMILES CC(C)NC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-22(2)40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(18-24)21-46-29-14-16-31(32(39)20-29)35-41-33-19-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-20,22,28H,3-7,21H2,1-2H3,(H,40,43)(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191538
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-21(41)38-26-12-14-29(22-7-10-25(36)11-8-22)24(17-26)20-44-28-13-15-30(31(37)19-28)34-39-32-18-23(35(42)43)9-16-33(32)40(34)27-5-3-2-4-6-27/h7-19,27H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191508
PNG
(2-{4-[4'-chloro-4-(morpholine-4-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C38H35ClFN3O5/c39-28-10-6-24(7-11-28)31-13-8-25(37(44)42-16-18-47-19-17-42)20-27(31)23-48-30-12-14-32(33(40)22-30)36-41-34-21-26(38(45)46)9-15-35(34)43(36)29-4-2-1-3-5-29/h6-15,20-22,29H,1-5,16-19,23H2,(H,45,46)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50158838
PNG
(2-{4-[2-(4-chlorophenyl)-5-(4-hydroxyhexahydro-1-p...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C39H37ClFN3O5/c40-28-10-6-24(7-11-28)32-13-8-25(38(46)43-18-16-30(45)17-19-43)20-27(32)23-49-31-12-14-33(34(41)22-31)37-42-35-21-26(39(47)48)9-15-36(35)44(37)29-4-2-1-3-5-29/h6-15,20-22,29-30,45H,1-5,16-19,23H2,(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191527
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClN3O4/c1-39(2)35(41)25-12-18-31(23-8-14-28(37)15-9-23)27(20-25)22-44-30-16-10-24(11-17-30)34-38-32-21-26(36(42)43)13-19-33(32)40(34)29-6-4-3-5-7-29/h8-21,29H,3-7,22H2,1-2H3,(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191519
PNG
(2-{4-[4-(acetylmethylamino)-4'-chlorobiphenyl-2-yl...)
Show SMILES CN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-22(42)40(2)28-13-15-30(23-8-11-26(37)12-9-23)25(18-28)21-45-29-14-16-31(32(38)20-29)35-39-33-19-24(36(43)44)10-17-34(33)41(35)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191532
PNG
(2-[4-(4'-chloro-4-sulfamoylbiphenyl-2-ylmethoxy)ph...)
Show SMILES NS(=O)(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30ClN3O5S/c34-25-11-6-21(7-12-25)29-16-15-28(43(35,40)41)18-24(29)20-42-27-13-8-22(9-14-27)32-36-30-19-23(33(38)39)10-17-31(30)37(32)26-4-2-1-3-5-26/h6-19,26H,1-5,20H2,(H,38,39)(H2,35,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191525
PNG
(2-{4-[4'-chloro-4-(piperidine-1-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCCCC2)cc1F
Show InChI InChI=1S/C39H37ClFN3O4/c40-29-13-9-25(10-14-29)32-16-11-26(38(45)43-19-5-2-6-20-43)21-28(32)24-48-31-15-17-33(34(41)23-31)37-42-35-22-27(39(46)47)12-18-36(35)44(37)30-7-3-1-4-8-30/h9-18,21-23,30H,1-8,19-20,24H2,(H,46,47)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191531
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-37-34(40)24-11-17-30(22-7-13-27(36)14-8-22)26(19-24)21-43-29-15-9-23(10-16-29)33-38-31-20-25(35(41)42)12-18-32(31)39(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191529
PNG
(2-[4-(4-acetyl-4'-chlorobiphenyl-2-ylmethoxy)pheny...)
Show SMILES CC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClN2O4/c1-22(39)25-11-17-31(23-7-13-28(36)14-8-23)27(19-25)21-42-30-15-9-24(10-16-30)34-37-32-20-26(35(40)41)12-18-33(32)38(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191542
PNG
(2-{4-[4-(acetylethylamino)-4'-chlorobiphenyl-2-ylm...)
Show SMILES CCN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-3-41(23(2)43)29-14-16-31(24-9-12-27(38)13-10-24)26(19-29)22-46-30-15-17-32(33(39)21-30)36-40-34-20-25(37(44)45)11-18-35(34)42(36)28-7-5-4-6-8-28/h9-21,28H,3-8,22H2,1-2H3,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191524
PNG
(2-[4-(4'-chloro-4-propylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-2-18-40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(19-24)22-46-29-14-16-31(32(39)21-29)35-41-33-20-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-17,19-21,28H,2-7,18,22H2,1H3,(H,40,43)(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191543
PNG
(2-{4-[4-(acetylisopropylamino)-4'-chlorobiphenyl-2...)
Show SMILES CC(C)N(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C38H37ClFN3O4/c1-23(2)42(24(3)44)30-14-16-32(25-9-12-28(39)13-10-25)27(19-30)22-47-31-15-17-33(34(40)21-31)37-41-35-20-26(38(45)46)11-18-36(35)43(37)29-7-5-4-6-8-29/h9-21,23,29H,4-8,22H2,1-3H3,(H,45,46)
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Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191548
PNG
(2-{4-[4'-chloro-4-(2-hydroxyethylcarbamoyl)bipheny...)
Show SMILES OCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O5/c37-26-10-6-22(7-11-26)29-13-8-23(35(43)39-16-17-42)18-25(29)21-46-28-12-14-30(31(38)20-28)34-40-32-19-24(36(44)45)9-15-33(32)41(34)27-4-2-1-3-5-27/h6-15,18-20,27,42H,1-5,16-17,21H2,(H,39,43)(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191515
PNG
(2-{4-[4'-chloro-4-(3,3-dimethylureido)biphenyl-2-y...)
Show SMILES CN(C)C(=O)Nc1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClFN4O4/c1-41(2)36(45)39-26-13-15-29(22-8-11-25(37)12-9-22)24(18-26)21-46-28-14-16-30(31(38)20-28)34-40-32-19-23(35(43)44)10-17-33(32)42(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,39,45)(H,43,44)
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Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191544
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-22(40)37-28-14-17-31(23-7-12-27(36)13-8-23)26(19-28)21-43-30-15-9-24(10-16-30)34-38-32-20-25(35(41)42)11-18-33(32)39(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191518
PNG
(2-[4-(4'-chloro-4-dimethylsulfamoylbiphenyl-2-ylme...)
Show SMILES CN(C)S(=O)(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H34ClN3O5S/c1-38(2)45(42,43)30-17-18-31(23-8-13-27(36)14-9-23)26(20-30)22-44-29-15-10-24(11-16-29)34-37-32-21-25(35(40)41)12-19-33(32)39(34)28-6-4-3-5-7-28/h8-21,28H,3-7,22H2,1-2H3,(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191513
PNG
(2-[4-(4-carboxy-4'-chlorobiphenyl-2-ylmethoxy)phen...)
Show SMILES OC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H29ClN2O5/c35-26-12-6-21(7-13-26)29-16-10-23(33(38)39)18-25(29)20-42-28-14-8-22(9-15-28)32-36-30-19-24(34(40)41)11-17-31(30)37(32)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H,38,39)(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191537
PNG
(2-[4-(4-benzylcarbamoyl-4'-chlorobiphenyl-2-ylmeth...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C41H36ClN3O4/c42-33-17-11-28(12-18-33)36-21-15-30(40(46)43-25-27-7-3-1-4-8-27)23-32(36)26-49-35-19-13-29(14-20-35)39-44-37-24-31(41(47)48)16-22-38(37)45(39)34-9-5-2-6-10-34/h1,3-4,7-8,11-24,34H,2,5-6,9-10,25-26H2,(H,43,46)(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191510
PNG
(2-[4-(4'-chloro-5-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClN3O4/c1-39(2)35(41)25-8-9-27(31(20-25)23-10-15-28(37)16-11-23)22-44-30-17-12-24(13-18-30)34-38-32-21-26(36(42)43)14-19-33(32)40(34)29-6-4-3-5-7-29/h8-21,29H,3-7,22H2,1-2H3,(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191539
PNG
(2-{4-[4'-chloro-4-(isobutyrylmethylamino)biphenyl-...)
Show SMILES CC(C)C(=O)N(C)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C38H37ClFN3O4/c1-23(2)37(44)42(3)29-14-16-31(24-9-12-27(39)13-10-24)26(19-29)22-47-30-15-17-32(33(40)21-30)36-41-34-20-25(38(45)46)11-18-35(34)43(36)28-7-5-4-6-8-28/h9-21,23,28H,4-8,22H2,1-3H3,(H,45,46)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50126676
PNG
(2-[4-(4'-Chloro-4-methoxy-biphenyl-2-ylmethoxy)-ph...)
Show SMILES COc1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H31ClN2O4/c1-40-29-16-17-30(22-7-12-26(35)13-8-22)25(19-29)21-41-28-14-9-23(10-15-28)33-36-31-20-24(34(38)39)11-18-32(31)37(33)27-5-3-2-4-6-27/h7-20,27H,2-6,21H2,1H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191506
PNG
(2-[4-(4'-chloro-4-cyanobiphenyl-2-ylmethoxy)phenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C#N)cc1
Show InChI InChI=1S/C34H28ClN3O3/c35-27-12-7-23(8-13-27)30-16-6-22(20-36)18-26(30)21-41-29-14-9-24(10-15-29)33-37-31-19-25(34(39)40)11-17-32(31)38(33)28-4-2-1-3-5-28/h6-19,28H,1-5,21H2,(H,39,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191512
PNG
(2-[4-(4'-chlorobiphenyl-2-ylmethoxy)phenyl]-1-cycl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H29ClN2O3/c34-26-15-10-22(11-16-26)29-9-5-4-6-25(29)21-39-28-17-12-23(13-18-28)32-35-30-20-24(33(37)38)14-19-31(30)36(32)27-7-2-1-3-8-27/h4-6,9-20,27H,1-3,7-8,21H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191522
PNG
(1-cyclohexyl-2-[4-(4,4'-dichlorobiphenyl-2-ylmetho...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)ccc2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-11-6-21(7-12-25)29-16-13-26(35)18-24(29)20-40-28-14-8-22(9-15-28)32-36-30-19-23(33(38)39)10-17-31(30)37(32)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191514
PNG
(2-{4-[2-(4-chlorophenyl)pyridin-3-ylmethoxy]phenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cccnc2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H28ClN3O3/c33-25-13-8-21(9-14-25)30-24(5-4-18-34-30)20-39-27-15-10-22(11-16-27)31-35-28-19-23(32(37)38)12-17-29(28)36(31)26-6-2-1-3-7-26/h4-5,8-19,26H,1-3,6-7,20H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191547
PNG
(2-[4-(4-chloro-4'-cyanobiphenyl-2-ylmethoxy)phenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)ccc2-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C34H28ClN3O3/c35-27-13-16-30(23-8-6-22(20-36)7-9-23)26(18-27)21-41-29-14-10-24(11-15-29)33-37-31-19-25(34(39)40)12-17-32(31)38(33)28-4-2-1-3-5-28/h6-19,28H,1-5,21H2,(H,39,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191530
PNG
(2-[4-(4'-carboxy-4-chlorobiphenyl-2-ylmethoxy)phen...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(Cl)cc1COc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C34H29ClN2O5/c35-26-13-16-29(21-6-8-23(9-7-21)33(38)39)25(18-26)20-42-28-14-10-22(11-15-28)32-36-30-19-24(34(40)41)12-17-31(30)37(32)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H,38,39)(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 3a NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191540
PNG
(2-[4-(4'-chloro-4-dimethylaminobiphenyl-2-ylmethox...)
Show SMILES CN(C)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H34ClN3O3/c1-38(2)29-15-18-31(23-8-13-27(36)14-9-23)26(20-29)22-42-30-16-10-24(11-17-30)34-37-32-21-25(35(40)41)12-19-33(32)39(34)28-6-4-3-5-7-28/h8-21,28H,3-7,22H2,1-2H3,(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191507
PNG
(2-[4-(4'-carbamoyl-4-chlorobiphenyl-2-ylmethoxy)ph...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Cl)cc1COc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C34H30ClN3O4/c35-26-13-16-29(21-6-8-22(9-7-21)32(36)39)25(18-26)20-42-28-14-10-23(11-15-28)33-37-30-19-24(34(40)41)12-17-31(30)38(33)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H2,36,39)(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191534
PNG
(2-{4-[4-(4-chlorophenyl)-2-methylthiazol-5-ylmetho...)
Show SMILES Cc1nc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O3S/c1-19-33-29(20-7-12-23(32)13-8-20)28(39-19)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-27(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191528
PNG
(2-[4-(4-chloro-4'-methylbiphenyl-2-ylmethoxy)pheny...)
Show SMILES Cc1ccc(cc1)-c1ccc(Cl)cc1COc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C34H31ClN2O3/c1-22-7-9-23(10-8-22)30-17-14-27(35)19-26(30)21-40-29-15-11-24(12-16-29)33-36-31-20-25(34(38)39)13-18-32(31)37(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191516
PNG
(2-[4-(4-chloro-4'-methoxybiphenyl-2-ylmethoxy)phen...)
Show SMILES COc1ccc(cc1)-c1ccc(Cl)cc1COc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C34H31ClN2O4/c1-40-28-13-7-22(8-14-28)30-17-12-26(35)19-25(30)21-41-29-15-9-23(10-16-29)33-36-31-20-24(34(38)39)11-18-32(31)37(33)27-5-3-2-4-6-27/h7-20,27H,2-6,21H2,1H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191550
PNG
(2-[4-(biphenyl-2-ylmethoxy)-2-fluorophenyl]-1-cycl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-29-20-26(39-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-35-30-19-23(33(37)38)15-18-31(30)36(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191521
PNG
(2-{4-[3-(4-chlorophenyl)pyridin-2-ylmethoxy]phenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ncccc2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H28ClN3O3/c33-24-13-8-21(9-14-24)27-7-4-18-34-29(27)20-39-26-15-10-22(11-16-26)31-35-28-19-23(32(37)38)12-17-30(28)36(31)25-5-2-1-3-6-25/h4,7-19,25H,1-3,5-6,20H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191523
PNG
(2-{4-[5-(4-chlorophenyl)-2-methylthiazol-4-ylmetho...)
Show SMILES Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O3S/c1-19-33-27(29(39-19)20-7-12-23(32)13-8-20)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-28(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191526
PNG
(2-{4-[4-(4-chlorophenyl)-2-methylpyrimidin-5-ylmet...)
Show SMILES Cc1ncc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C32H29ClN4O3/c1-20-34-18-24(30(35-20)21-7-12-25(33)13-8-21)19-40-27-14-9-22(10-15-27)31-36-28-17-23(32(38)39)11-16-29(28)37(31)26-5-3-2-4-6-26/h7-18,26H,2-6,19H2,1H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191545
PNG
(2-[4-(4-Chlorobiphenyl-2-ylmethoxy)phenyl]-1-cyclo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1
Show InChI InChI=1S/C33H29ClN2O3/c34-26-14-17-29(22-7-3-1-4-8-22)25(19-26)21-39-28-15-11-23(12-16-28)32-35-30-20-24(33(37)38)13-18-31(30)36(32)27-9-5-2-6-10-27/h1,3-4,7-8,11-20,27H,2,5-6,9-10,21H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191517
PNG
(2-[4-(5-chloro-2-pyridin-3-yl-benzyloxy)phenyl]-1-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)ccc2-c2cccnc2)cc1
Show InChI InChI=1S/C32H28ClN3O3/c33-25-11-14-28(23-5-4-16-34-19-23)24(17-25)20-39-27-12-8-21(9-13-27)31-35-29-18-22(32(37)38)10-15-30(29)36(31)26-6-2-1-3-7-26/h4-5,8-19,26H,1-3,6-7,20H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191546
PNG
(2-[4-(biphenyl-2-ylmethoxy)-2-chlorophenyl]-1-cycl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)cc1Cl
Show InChI InChI=1S/C33H29ClN2O3/c34-29-20-26(39-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-35-30-19-23(33(37)38)15-18-31(30)36(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191509
PNG
(2-[4-(biphenyl-2-ylmethoxy)-3-fluorophenyl]-1-cycl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)c(F)c1
Show InChI InChI=1S/C33H29FN2O3/c34-28-19-23(16-18-31(28)39-21-25-11-7-8-14-27(25)22-9-3-1-4-10-22)32-35-29-20-24(33(37)38)15-17-30(29)36(32)26-12-5-2-6-13-26/h1,3-4,7-11,14-20,26H,2,5-6,12-13,21H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191504
PNG
(1-cyclohexyl-2-[4-(4,3'-dichlorobiphenyl-2-ylmetho...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)ccc2-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-6-4-5-22(17-25)29-15-12-26(35)18-24(29)20-40-28-13-9-21(10-14-28)32-36-30-19-23(33(38)39)11-16-31(30)37(32)27-7-2-1-3-8-27/h4-6,9-19,27H,1-3,7-8,20H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191536
PNG
(2-{4-[5-(4-chlorophenyl)-2-methyloxazol-4-ylmethox...)
Show SMILES Cc1nc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H28ClN3O4/c1-19-33-27(29(39-19)20-7-12-23(32)13-8-20)18-38-25-14-9-21(10-15-25)30-34-26-17-22(31(36)37)11-16-28(26)35(30)24-5-3-2-4-6-24/h7-17,24H,2-6,18H2,1H3,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191535
PNG
(2-[4-(biphenyl-2-ylmethoxy)-2-trifluoromethylpheny...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)cc1C(F)(F)F
Show InChI InChI=1S/C34H29F3N2O3/c35-34(36,37)29-20-26(42-21-24-11-7-8-14-27(24)22-9-3-1-4-10-22)16-17-28(29)32-38-30-19-23(33(40)41)15-18-31(30)39(32)25-12-5-2-6-13-25/h1,3-4,7-11,14-20,25H,2,5-6,12-13,21H2,(H,40,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191520
PNG
(2-[4-(biphenyl-2-ylmethoxy)-2-methoxyphenyl]-1-cyc...)
Show SMILES COc1cc(OCc2ccccc2-c2ccccc2)ccc1-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O
Show InChI InChI=1S/C34H32N2O4/c1-39-32-21-27(40-22-25-12-8-9-15-28(25)23-10-4-2-5-11-23)17-18-29(32)33-35-30-20-24(34(37)38)16-19-31(30)36(33)26-13-6-3-7-14-26/h2,4-5,8-12,15-21,26H,3,6-7,13-14,22H2,1H3,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 2b NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 2a NS5B RNA dependent RNA polymerase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase gamma


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase alpha


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50191511
PNG
(2-{4-[4'-chloro-4-(2-oxo-pyrrolidin-1-yl)-biphenyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F
Show InChI InChI=1S/C37H33ClFN3O4/c38-26-11-8-23(9-12-26)30-15-13-28(41-18-4-7-35(41)43)19-25(30)22-46-29-14-16-31(32(39)21-29)36-40-33-20-24(37(44)45)10-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)
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PC cid
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UniChem
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV reverse transcriptase


J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%