new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1400 hits Enz. Inhib. hit(s) with Target = 'Hepatitis C virus NS5B RNA-dependent RNA polymerase'   
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)
BDBM50410390
PNG
(CHEMBL1161754)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H18N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17,20-22,29H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.01E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410391
PNG
(CHEMBL1161753)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](OCP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H20N5O12P3/c12-10-7-11(14-2-13-10)16(3-15-7)5-1-6(9(18)8(5)17)26-4-29(19,20)27-31(24,25)28-30(21,22)23/h2-3,5-6,8-9,17-18,21-23,30H,1,4H2,(H,19,20)(H,24,25)(H2,12,13,14)/t5-,6+,8+,9-/m1/s1
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.29E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410392
PNG
(CHEMBL1161773)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCP(O)(=O)OP(O)(=O)OP(O)(O)O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H22N5O12P3/c1-12(19)8(18)6(2-3-30(20,21)28-32(25,26)29-31(22,23)24)27-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h4-6,8,11,18-19,22-24,31H,2-3H2,1H3,(H,20,21)(H,25,26)(H2,13,14,15)/t6-,8-,11-,12-/m1/s1
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.27E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186156
PNG
(CHEMBL379613 | N-{3-[1-(cyclobutylamino)-4-hydroxy...)
Show SMILES NS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:9|
Show InChI InChI=1S/C20H20N6O6S2/c21-34(31,32)24-12-8-9-14-16(10-12)33(29,30)25-19(22-14)17-18(27)13-6-1-2-7-15(13)26(20(17)28)23-11-4-3-5-11/h1-2,6-11,23-24,27H,3-5H2,(H,22,25)(H2,21,31,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162106
PNG
(1-Cyclohexyl-2-(2-fluoro-4-hydroxy-phenyl)-1H-benz...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(O)cc1F
Show InChI InChI=1S/C20H19FN2O3/c21-16-11-14(24)7-8-15(16)19-22-17-10-12(20(25)26)6-9-18(17)23(19)13-4-2-1-3-5-13/h6-11,13,24H,1-5H2,(H,25,26)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181954
PNG
((S)-5-tert-butyl-1-(3,3-dimethyl-butyl)-3-(1,1-dio...)
Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccccc2S(=O)(=O)N1)C(C)(C)C |t:14|
Show InChI InChI=1S/C21H29N3O4S/c1-20(2,3)11-12-24-17(21(4,5)6)16(25)15(19(24)26)18-22-13-9-7-8-10-14(13)29(27,28)23-18/h7-10,15,17H,11-12H2,1-6H3,(H,22,23)/t15?,17-/m1/s1
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 2205-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.034
BindingDB Entry DOI: 10.7270/Q26T0M6W
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186150
PNG
(CHEMBL208740 | N-{3-[4-hydroxy-1-(3-methylbutyl)-2...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(N)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C20H22N6O6S2/c1-11(2)7-9-26-19-13(4-3-8-22-19)17(27)16(20(26)28)18-23-14-6-5-12(24-34(21,31)32)10-15(14)33(29,30)25-18/h3-6,8,10-11,24,27H,7,9H2,1-2H3,(H,23,25)(H2,21,31,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186184
PNG
(CHEMBL211336 | propane-2-sulfonic acid {3-[4-hydro...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)C(C)C)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C23H27N5O6S2/c1-13(2)9-11-28-22-16(6-5-10-24-22)20(29)19(23(28)30)21-25-17-8-7-15(26-35(31,32)14(3)4)12-18(17)36(33,34)27-21/h5-8,10,12-14,26,29H,9,11H2,1-4H3,(H,25,27)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162110
PNG
(1-Cyclohexyl-2-(4-hydroxy-phenyl)-1H-benzoimidazol...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H20N2O3/c23-16-9-6-13(7-10-16)19-21-17-12-14(20(24)25)8-11-18(17)22(19)15-4-2-1-3-5-15/h6-12,15,23H,1-5H2,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162109
PNG
(3-Cyclohexyl-2-(4-hydroxy-phenyl)-1H-indole-6-carb...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H21NO3/c23-16-9-6-14(7-10-16)20-19(13-4-2-1-3-5-13)17-11-8-15(21(24)25)12-18(17)22-20/h6-13,22-23H,1-5H2,(H,24,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186206
PNG
(Bbutane-1-sulfonic acid {3-[4-hydroxy-1-(3-methyl-...)
Show SMILES CCCCS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccnc2n(CCC(C)C)c1=O |c:12|
Show InChI InChI=1S/C24H29N5O6S2/c1-4-5-13-36(32,33)27-16-8-9-18-19(14-16)37(34,35)28-22(26-18)20-21(30)17-7-6-11-25-23(17)29(24(20)31)12-10-15(2)3/h6-9,11,14-15,27,30H,4-5,10,12-13H2,1-3H3,(H,26,28)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186156
PNG
(CHEMBL379613 | N-{3-[1-(cyclobutylamino)-4-hydroxy...)
Show SMILES NS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:9|
Show InChI InChI=1S/C20H20N6O6S2/c21-34(31,32)24-12-8-9-14-16(10-12)33(29,30)25-19(22-14)17-18(27)13-6-1-2-7-15(13)26(20(17)28)23-11-4-3-5-11/h1-2,6-11,23-24,27H,3-5H2,(H,22,25)(H2,21,31,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186147
PNG
(CHEMBL210050 | N-benzyl({3-[4-hydroxy-1-(3-methylb...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCc4ccccc4)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C27H28N6O6S2/c1-17(2)12-14-33-26-20(9-6-13-28-26)24(34)23(27(33)35)25-30-21-11-10-19(15-22(21)40(36,37)32-25)31-41(38,39)29-16-18-7-4-3-5-8-18/h3-11,13,15,17,29,31,34H,12,14,16H2,1-2H3,(H,30,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM100761
PNG
(US8507683, 12)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(cc(F)c1C)C(=O)NC1(COC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F3N4O4/c1-16-21(12-18(13-22(16)33)28(39)38-31(14-41-15-31)30-36-10-3-11-37-30)20-8-9-23-24(26(20)34)25(29(40)35-2)27(42-23)17-4-6-19(32)7-5-17/h3-13H,14-15H2,1-2H3,(H,35,40)(H,38,39)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B enzyme assay.


US Patent US8507683 (2013)


BindingDB Entry DOI: 10.7270/Q2C827XJ
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)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<6n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186153
PNG
(CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162099
PNG
(2-(4-Benzyloxy-phenyl)-3-cyclohexyl-1-dimethylcarb...)
Show SMILES CN(C)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C32H34N2O4/c1-33(2)29(35)20-34-28-19-25(32(36)37)15-18-27(28)30(23-11-7-4-8-12-23)31(34)24-13-16-26(17-14-24)38-21-22-9-5-3-6-10-22/h3,5-6,9-10,13-19,23H,4,7-8,11-12,20-21H2,1-2H3,(H,36,37)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186141
PNG
(2-cyanoethyl N-({3-[4-hydroxy-1-(3-methylbutyl)-2-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NC(=O)OCCC#N)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C24H25N7O8S2/c1-14(2)8-11-31-22-16(5-3-10-26-22)20(32)19(23(31)33)21-27-17-7-6-15(13-18(17)40(35,36)29-21)28-41(37,38)30-24(34)39-12-4-9-25/h3,5-7,10,13-14,28,32H,4,8,11-12H2,1-2H3,(H,27,29)(H,30,34)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186185
PNG
(CHEMBL211408 | N-{3-[4-hydroxy-1-(3-methyl-butyl)-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)c4ccccc4)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C26H25N5O6S2/c1-16(2)12-14-31-25-19(9-6-13-27-25)23(32)22(26(31)33)24-28-20-11-10-17(15-21(20)39(36,37)30-24)29-38(34,35)18-7-4-3-5-8-18/h3-11,13,15-16,29,32H,12,14H2,1-2H3,(H,28,30)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169942
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-methanesu...)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClN3O5S/c1-38(36,37)31-15-13-30(14-16-31)25(33)18-32-24-17-21(28(34)35)9-12-23(24)26(19-5-3-2-4-6-19)27(32)20-7-10-22(29)11-8-20/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,34,35)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50142042
PNG
((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1
Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.


Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186184
PNG
(CHEMBL211336 | propane-2-sulfonic acid {3-[4-hydro...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)C(C)C)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C23H27N5O6S2/c1-13(2)9-11-28-22-16(6-5-10-24-22)20(29)19(23(28)30)21-25-17-8-7-15(26-35(31,32)14(3)4)12-18(17)36(33,34)27-21/h5-8,10,12-14,26,29H,9,11H2,1-4H3,(H,25,27)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3833-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.022
BindingDB Entry DOI: 10.7270/Q2J9660F
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169930
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[(cyclopropylme...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)NCC3CC3)c2c1
Show InChI InChI=1S/C27H29ClN2O3/c28-21-11-8-19(9-12-21)26-25(18-4-2-1-3-5-18)22-13-10-20(27(32)33)14-23(22)30(26)16-24(31)29-15-17-6-7-17/h8-14,17-18H,1-7,15-16H2,(H,29,31)(H,32,33)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186146
PNG
(3-[1-(cyclobutylamino)-4-hydroxy-2-oxo-1,2-dihydro...)
Show SMILES CNS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:10|
Show InChI InChI=1S/C21H22N6O6S2/c1-22-35(32,33)25-13-9-10-15-17(11-13)34(30,31)26-20(23-15)18-19(28)14-7-2-3-8-16(14)27(21(18)29)24-12-5-4-6-12/h2-3,7-12,22,24-25,28H,4-6H2,1H3,(H,23,26)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169899
PNG
(3-Cyclohexyl-1-[2-(4-dimethylamino-piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)-c1c(C2CCCCC2)c2ccc(cc2n1CC(=O)N1CCC(CC1)N(C)C)C(O)=O
Show InChI InChI=1S/C31H39N3O4/c1-32(2)24-15-17-33(18-16-24)28(35)20-34-27-19-23(31(36)37)11-14-26(27)29(21-7-5-4-6-8-21)30(34)22-9-12-25(38-3)13-10-22/h9-14,19,21,24H,4-8,15-18,20H2,1-3H3,(H,36,37)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169911
PNG
(3-Cyclohexyl-1-[2-(2-diethylaminomethyl-morpholin-...)
Show SMILES CCN(CC)CC1CN(CCO1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169904
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-diethylam...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C32H40ClN3O3/c1-3-34(4-2)26-16-18-35(19-17-26)29(37)21-36-28-20-24(32(38)39)12-15-27(28)30(22-8-6-5-7-9-22)31(36)23-10-13-25(33)14-11-23/h10-15,20,22,26H,3-9,16-19,21H2,1-2H3,(H,38,39)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
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)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50169906
PNG
(3-Cyclohexyl-1-[2-(2-diethylaminomethyl-morpholin-...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(CC3)N3CCC3)c2c1
Show InChI InChI=1S/C29H35N3O4/c33-26(31-14-9-23(10-15-31)30-12-4-13-30)18-32-25-17-21(29(34)35)7-8-24(25)27(20-5-2-1-3-6-20)28(32)22-11-16-36-19-22/h7-8,11,16-17,19-20,23H,1-6,9-10,12-15,18H2,(H,34,35)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186150
PNG
(CHEMBL208740 | N-{3-[4-hydroxy-1-(3-methylbutyl)-2...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(N)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C20H22N6O6S2/c1-11(2)7-9-26-19-13(4-3-8-22-19)17(27)16(20(26)28)18-23-14-6-5-12(24-34(21,31)32)10-15(14)33(29,30)25-18/h3-6,8,10-11,24,27H,7,9H2,1-2H3,(H,23,25)(H2,21,31,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169922
PNG
(3-Cyclohexyl-1-[2-(4-diethylamino-piperidin-1-yl)-...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H43N3O4/c1-4-34(5-2)26-17-19-35(20-18-26)30(37)22-36-29-21-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-27(40-3)15-12-24/h11-16,21,23,26H,4-10,17-20,22H2,1-3H3,(H,38,39)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM100759
PNG
(US8507683, 10)
Show SMILES CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(COC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O4/c1-17-4-5-19(28(38)37-31(15-40-16-31)30-35-12-3-13-36-30)14-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(41-23)18-6-8-20(32)9-7-18/h3-14H,15-16H2,1-2H3,(H,34,39)(H,37,38)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV NS5B enzyme assay.


US Patent US8507683 (2013)


BindingDB Entry DOI: 10.7270/Q2C827XJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186180
PNG
(7-{[(2-aminoethyl)sulfamoyl]amino}-3-[4-hydroxy-1-...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCCN)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C22H27N7O6S2/c1-13(2)7-11-29-21-15(4-3-9-24-21)19(30)18(22(29)31)20-26-16-6-5-14(12-17(16)36(32,33)28-20)27-37(34,35)25-10-8-23/h3-6,9,12-13,25,27,30H,7-8,10-11,23H2,1-2H3,(H,26,28)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3|
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50222317
PNG
(CHEMBL394002 | N-[(4-methoxyphenyl)methyl]({3-[4-h...)
Show SMILES COc1ccc(CNS(=O)(=O)Nc2ccc3N=C(NS(=O)(=O)c3c2)c2c(O)c3cccnc3n(CCC(C)C)c2=O)cc1 |c:16|
Show InChI InChI=1S/C28H30N6O7S2/c1-17(2)12-14-34-27-21(5-4-13-29-27)25(35)24(28(34)36)26-31-22-11-8-19(15-23(22)42(37,38)33-26)32-43(39,40)30-16-18-6-9-20(41-3)10-7-18/h4-11,13,15,17,30,32,35H,12,14,16H2,1-3H3,(H,31,33)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50162105
PNG
(3-Cyclohexyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-2-p-...)
Show SMILES Cc1ccc(cc1)-c1c(C2CCCCC2)c2ccc(cc2n1CC(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C28H32N2O4/c1-19-7-9-21(10-8-19)27-26(20-5-3-2-4-6-20)23-12-11-22(28(32)33)17-24(23)30(27)18-25(31)29-13-15-34-16-14-29/h7-12,17,20H,2-6,13-16,18H2,1H3,(H,32,33)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169915
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(1,1-dioxo-1...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCS(=O)(=O)CC3)c2c1
Show InChI InChI=1S/C27H29ClN2O5S/c28-21-9-6-19(7-10-21)26-25(18-4-2-1-3-5-18)22-11-8-20(27(32)33)16-23(22)30(26)17-24(31)29-12-14-36(34,35)15-13-29/h6-11,16,18H,1-5,12-15,17H2,(H,32,33)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169903
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[(isopropyl-met...)
Show SMILES CC(C)N(C)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H31ClN2O3/c1-17(2)29(3)24(31)16-30-23-15-20(27(32)33)11-14-22(23)25(18-7-5-4-6-8-18)26(30)19-9-12-21(28)13-10-19/h9-15,17-18H,4-8,16H2,1-3H3,(H,32,33)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169931
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-{[methyl-(1-met...)
Show SMILES CN(CC1CCCN(C)C1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H38ClN3O3/c1-33-16-6-7-21(18-33)19-34(2)28(36)20-35-27-17-24(31(37)38)12-15-26(27)29(22-8-4-3-5-9-22)30(35)23-10-13-25(32)14-11-23/h10-15,17,21-22H,3-9,16,18-20H2,1-2H3,(H,37,38)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
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)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/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)
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)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 12n/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)
BDBM50169920
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-methyl-pi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClN3O3/c1-30-13-15-31(16-14-30)25(33)18-32-24-17-21(28(34)35)9-12-23(24)26(19-5-3-2-4-6-19)27(32)20-7-10-22(29)11-8-20/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,34,35)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50169919
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-dimethyla...)
Show SMILES CN(C)C1CNC(C1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H34ClN3O3/c1-32(2)22-15-24(31-16-22)26(34)17-33-25-14-20(29(35)36)10-13-23(25)27(18-6-4-3-5-7-18)28(33)19-8-11-21(30)12-9-19/h8-14,18,22,24,31H,3-7,15-17H2,1-2H3,(H,35,36)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase


J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50186162
PNG
(CHEMBL211130 | N-[(3-nitrophenyl)methyl]({3-[4-hyd...)
Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCc4cccc(c4)[N+]([O-])=O)cc3S(=O)(=O)N2)c1=O |t:16|
Show InChI InChI=1S/C27H27N7O8S2/c1-16(2)10-12-33-26-20(7-4-11-28-26)24(35)23(27(33)36)25-30-21-9-8-18(14-22(21)43(39,40)32-25)31-44(41,42)29-15-17-5-3-6-19(13-17)34(37)38/h3-9,11,13-14,16,29,31,35H,10,12,15H2,1-2H3,(H,30,32)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV 1a NS5B RNA polymerase


Bioorg Med Chem Lett 16: 3367-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.015
BindingDB Entry DOI: 10.7270/Q2P26XQC
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)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13n/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)
BDBM50181650
PNG
(1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-dihydro-1-...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H19N3O4S/c25-19-14-5-1-3-7-16(14)24(12-11-13-9-10-13)21(26)18(19)20-22-15-6-2-4-8-17(15)29(27,28)23-20/h1-8,13,25H,9-12H2,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1400 total )  |  Next  |  Last  >>
Jump to: