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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50017419   
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)
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181936
PNG
(2-[4-(biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)25-17-20-31-30(21-25)34-32(35(31)27-12-5-2-6-13-27)24-15-18-28(19-16-24)38-22-26-11-7-8-14-29(26)23-9-3-1-4-10-23/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181927
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181947
PNG
(2-[4-(2-biphenyl-2-yl-ethoxy)-phenyl]-1-cyclohexyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C34H32N2O3/c37-34(38)27-17-20-32-31(23-27)35-33(36(32)28-12-5-2-6-13-28)26-15-18-29(19-16-26)39-22-21-25-11-7-8-14-30(25)24-9-3-1-4-10-24/h1,3-4,7-11,14-20,23,28H,2,5-6,12-13,21-22H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181943
PNG
(2-[4-(biphenyl-3-ylmethoxy)-phenyl]-1-cyclohexyl-1...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)27-16-19-31-30(21-27)34-32(35(31)28-12-5-2-6-13-28)25-14-17-29(18-15-25)38-22-23-8-7-11-26(20-23)24-9-3-1-4-10-24/h1,3-4,7-11,14-21,28H,2,5-6,12-13,22H2,(H,36,37)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181952
PNG
(2-[4-(biphenyl-2-yloxy)-phenyl]-1-cyclohexyl-1H-be...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(Oc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N2O3/c35-32(36)24-17-20-29-28(21-24)33-31(34(29)25-11-5-2-6-12-25)23-15-18-26(19-16-23)37-30-14-8-7-13-27(30)22-9-3-1-4-10-22/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,35,36)
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Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181923
PNG
(2-(4-(benzhydryloxy)phenyl)-1-cyclohexyl-1H-benzo[...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
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Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181922
PNG
(2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181951
PNG
(1-cyclohexyl-2-(4-(3-phenylpropoxy)phenyl)-1H-benz...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C29H30N2O3/c32-29(33)23-15-18-27-26(20-23)30-28(31(27)24-11-5-2-6-12-24)22-13-16-25(17-14-22)34-19-7-10-21-8-3-1-4-9-21/h1,3-4,8-9,13-18,20,24H,2,5-7,10-12,19H2,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181927
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181932
PNG
(2-(4-(bis(4-chlorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181924
PNG
(1-cyclohexyl-2-(4-(2,2-diphenylethoxy)phenyl)-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C34H32N2O3/c37-34(38)27-18-21-32-31(22-27)35-33(36(32)28-14-8-3-9-15-28)26-16-19-29(20-17-26)39-23-30(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-22,28,30H,3,8-9,14-15,23H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181925
PNG
(1-cyclohexyl-2-(4-(5-phenylpentyloxy)phenyl)-1H-be...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C31H34N2O3/c34-31(35)25-17-20-29-28(22-25)32-30(33(29)26-13-7-2-8-14-26)24-15-18-27(19-16-24)36-21-9-3-6-12-23-10-4-1-5-11-23/h1,4-5,10-11,15-20,22,26H,2-3,6-9,12-14,21H2,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181935
PNG
(1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F
Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181944
PNG
(2-(4-(4-chlorobenzyloxy)phenyl)-1-cyclopentyl-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H23ClN2O3/c27-20-10-5-17(6-11-20)16-32-22-12-7-18(8-13-22)25-28-23-15-19(26(30)31)9-14-24(23)29(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181942
PNG
(1-cyclohexyl-2-(4-(2-phenoxyethoxy)phenyl)-1H-benz...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O4/c31-28(32)21-13-16-26-25(19-21)29-27(30(26)22-7-3-1-4-8-22)20-11-14-24(15-12-20)34-18-17-33-23-9-5-2-6-10-23/h2,5-6,9-16,19,22H,1,3-4,7-8,17-18H2,(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181930
PNG
(2-(4-(3,4-dichlorobenzyloxy)phenyl)-1-cyclopentyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C26H22Cl2N2O3/c27-21-11-5-16(13-22(21)28)15-33-20-9-6-17(7-10-20)25-29-23-14-18(26(31)32)8-12-24(23)30(25)19-3-1-2-4-19/h5-14,19H,1-4,15H2,(H,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181923
PNG
(2-(4-(benzhydryloxy)phenyl)-1-cyclohexyl-1H-benzo[...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181950
PNG
(2-(4-(benzyloxy)phenyl)-1-cyclohexyl-1H-benzo[d]im...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H26N2O3/c30-27(31)21-13-16-25-24(17-21)28-26(29(25)22-9-5-2-6-10-22)20-11-14-23(15-12-20)32-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-17,22H,2,5-6,9-10,18H2,(H,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181940
PNG
(2-(4-(4-tert-butylbenzyloxy)phenyl)-1-cyclopentyl-...)
Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCC2)C(O)=O)cc1
Show InChI InChI=1S/C30H32N2O3/c1-30(2,3)23-13-8-20(9-14-23)19-35-25-15-10-21(11-16-25)28-31-26-18-22(29(33)34)12-17-27(26)32(28)24-6-4-5-7-24/h8-18,24H,4-7,19H2,1-3H3,(H,33,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181937
PNG
(1-cyclopentyl-2-[4-(4-methyl-benzyloxy)-phenyl]-1H...)
Show SMILES Cc1ccc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCC2)C(O)=O)cc1
Show InChI InChI=1S/C27H26N2O3/c1-18-6-8-19(9-7-18)17-32-23-13-10-20(11-14-23)26-28-24-16-21(27(30)31)12-15-25(24)29(26)22-4-2-3-5-22/h6-16,22H,2-5,17H2,1H3,(H,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181953
PNG
(2-(4-(3-chlorobenzyloxy)phenyl)-1-cyclopentyl-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H23ClN2O3/c27-20-5-3-4-17(14-20)16-32-22-11-8-18(9-12-22)25-28-23-15-19(26(30)31)10-13-24(23)29(25)21-6-1-2-7-21/h3-5,8-15,21H,1-2,6-7,16H2,(H,30,31)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181939
PNG
(2-(4-(3,5-dichlorobenzyloxy)phenyl)-1-cyclopentyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C26H22Cl2N2O3/c27-19-11-16(12-20(28)14-19)15-33-22-8-5-17(6-9-22)25-29-23-13-18(26(31)32)7-10-24(23)30(25)21-3-1-2-4-21/h5-14,21H,1-4,15H2,(H,31,32)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181931
PNG
(2-(4-(benzyloxy)phenyl)-1-cycloheptyl-1H-benzo[d]i...)
Show SMILES OC(=O)c1ccc2n(C3CCCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O3/c31-28(32)22-14-17-26-25(18-22)29-27(30(26)23-10-6-1-2-7-11-23)21-12-15-24(16-13-21)33-19-20-8-4-3-5-9-20/h3-5,8-9,12-18,23H,1-2,6-7,10-11,19H2,(H,31,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181946
PNG
(2-(4-(4-(trifluoromethyl)benzyloxy)phenyl)-1-cyclo...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N2O3/c28-27(29,30)20-10-5-17(6-11-20)16-35-22-12-7-18(8-13-22)25-31-23-15-19(26(33)34)9-14-24(23)32(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,33,34)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181922
PNG
(2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181934
PNG
(2-(4-(4-methoxybenzyloxy)phenyl)-1-cyclopentyl-1H-...)
Show SMILES COc1ccc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCC2)C(O)=O)cc1
Show InChI InChI=1S/C27H26N2O4/c1-32-22-11-6-18(7-12-22)17-33-23-13-8-19(9-14-23)26-28-24-16-20(27(30)31)10-15-25(24)29(26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,30,31)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181935
PNG
(1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F
Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181948
PNG
(2-(4-(2-chlorobenzyloxy)phenyl)-1-cyclopentyl-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C26H23ClN2O3/c27-22-8-4-1-5-19(22)16-32-21-12-9-17(10-13-21)25-28-23-15-18(26(30)31)11-14-24(23)29(25)20-6-2-3-7-20/h1,4-5,8-15,20H,2-3,6-7,16H2,(H,30,31)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181932
PNG
(2-(4-(bis(4-chlorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181949
PNG
(2-(4-(benzyloxy)phenyl)-1-cyclopentyl-1H-benzo[d]i...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181945
PNG
(1-cyclopentyl-2-(4-(pyridin-4-ylmethoxy)phenyl)-1H...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C25H23N3O3/c29-25(30)19-7-10-23-22(15-19)27-24(28(23)20-3-1-2-4-20)18-5-8-21(9-6-18)31-16-17-11-13-26-14-12-17/h5-15,20H,1-4,16H2,(H,29,30)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181928
PNG
(2-(4-(4-carboxybenzyloxy)phenyl)-1-cyclopentyl-1H-...)
Show SMILES OC(=O)c1ccc(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCC2)C(O)=O)cc1
Show InChI InChI=1S/C27H24N2O5/c30-26(31)19-7-5-17(6-8-19)16-34-22-12-9-18(10-13-22)25-28-23-15-20(27(32)33)11-14-24(23)29(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,30,31)(H,32,33)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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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
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181922
PNG
(2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)
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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
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
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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
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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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
Inhibitory activity against DNA polymerase beta


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50181935
PNG
(1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F
Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)
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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
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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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
Inhibitory activity against DNA polymerase alpha


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
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