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Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'hirashima' and Initial = 's'   
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)
BDBM50370763
PNG
(CHEMBL1203926)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1
Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199051
PNG
(3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1
Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370761
PNG
(CHEMBL1204385)
Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199043
PNG
(13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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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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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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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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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370762
PNG
(CHEMBL1203925)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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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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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199042
PNG
(13-cyclohexyl-5-(dimethylcarbamoylmethyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H31N3O3/c1-28(2)24(31)17-29-14-15-30-23-16-19(27(32)33)12-13-20(23)25(18-8-4-3-5-9-18)26(30)21-10-6-7-11-22(21)29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199058
PNG
(12-cyclohexyl-6,7-dihydro-5-oxa-7a-azadibenzo[a,e]...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1
Show InChI InChI=1S/C23H23NO3/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199046
PNG
(13-cyclohexyl-5-(2-phenylethyl)-6,7-dihydro-5H-ben...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C31H32N2O2/c34-31(35)24-15-16-25-28(21-24)33-20-19-32(18-17-22-9-3-1-4-10-22)27-14-8-7-13-26(27)30(33)29(25)23-11-5-2-6-12-23/h1,3-4,7-10,13-16,21,23H,2,5-6,11-12,17-20H2,(H,34,35)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199048
PNG
(13-cyclohexyl-5-iso-propyl-6,7-dihydro-5H-benzo[5,...)
Show SMILES CC(C)N1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C26H30N2O2/c1-17(2)27-14-15-28-23-16-19(26(29)30)12-13-20(23)24(18-8-4-3-5-9-18)25(28)21-10-6-7-11-22(21)27/h6-7,10-13,16-18H,3-5,8-9,14-15H2,1-2H3,(H,29,30)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199049
PNG
(12-cyclohexyl-6,7-dihydro-5-thia-7a-azadibenzo[a,e...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4SCCn3c2c1
Show InChI InChI=1S/C23H23NO2S/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199047
PNG
(13-cyclohexyl-5-benzyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(Cc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C30H30N2O2/c33-30(34)23-15-16-24-27(19-23)32-18-17-31(20-21-9-3-1-4-10-21)26-14-8-7-13-25(26)29(32)28(24)22-11-5-2-6-12-22/h1,3-4,7-10,13-16,19,22H,2,5-6,11-12,17-18,20H2,(H,33,34)
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n/an/a 41n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199050
PNG
(2-[(12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza-dibenzo...)
Show SMILES CC(C)(NC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
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n/an/a 46n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199054
PNG
(14-cyclohexyl-7,8-dihydro-6H-indole[1,2e][1,5]benz...)
Show SMILES OC(=O)c1ccc2C(C3CCCCC3)=C3C(CCCOc4ccccc34)c2c1 |c:14|
Show InChI InChI=1S/C25H26O3/c26-25(27)17-12-13-19-21(15-17)18-10-6-14-28-22-11-5-4-9-20(22)24(18)23(19)16-7-2-1-3-8-16/h4-5,9,11-13,15-16,18H,1-3,6-8,10,14H2,(H,26,27)
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n/an/a 47n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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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n/an/a 50n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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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n/an/a 50n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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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n/an/a 61n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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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n/an/a 62n/an/an/an/an/an/a



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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199056
PNG
(13-cyclohexyl-6,7-dihydro-5H-benzo[3,4]azepino[1,2...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4CCCn3c2c1
Show InChI InChI=1S/C24H25NO2/c26-24(27)18-12-13-20-21(15-18)25-14-6-10-16-7-4-5-11-19(16)23(25)22(20)17-8-2-1-3-9-17/h4-5,7,11-13,15,17H,1-3,6,8-10,14H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
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
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
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