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Compile Data Set for Download or QSAR

Found 1719 hits Enz. Inhib. hit(s) with Target = 'RNA polymerase (NS5B)'   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65581
PNG
(US9693997, 1)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N6O4S/c1-24(2,3)39-23(36)35-10-8-17(9-11-35)40(37,38)16-6-4-14(5-7-16)20-18(25(27,28)29)12-15(13-19(20)26)31-22-32-21(30)33-34-22/h4-7,12-13,17H,8-11H2,1-3H3,(H4,30,31,32,33,34)
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n/an/an/an/a 1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65634
PNG
(US9693997, 39)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)n[nH]1
Show InChI InChI=1S/C24H26Cl2N8O2S/c25-15-9-14(29-23-32-22(27)33-34-23)10-16(26)20(15)12-5-7-13(8-6-12)28-19(35)4-2-1-3-18-21-17(11-37-18)30-24(36)31-21/h5-10,17-18,21H,1-4,11H2,(H,28,35)(H2,30,31,36)(H4,27,29,32,33,34)/t17-,18-,21-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70653
PNG
(US9693997, 179)
Show SMILES COc1cc(ccc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N6O3S/c1-19(2,3)30-34(31,32)15-6-5-10(7-14(15)33-4)16-12(20(22,23)24)8-11(9-13(16)21)26-18-27-17(25)28-29-18/h5-9,30H,1-4H3,(H4,25,26,27,28,29)
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70799
PNG
(US9693997, 289)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)N2CCCS2(=O)=O)n[nH]1
Show InChI InChI=1S/C17H16Cl2N6O2S/c18-13-8-11(21-17-22-16(20)23-24-17)9-14(19)15(13)10-2-4-12(5-3-10)25-6-1-7-28(25,26)27/h2-5,8-9H,1,6-7H2,(H4,20,21,22,23,24)
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70466
PNG
(US9693997, 123)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C16H16Cl2N6O2S/c1-24(2)27(25,26)11-5-3-9(4-6-11)14-12(17)7-10(8-13(14)18)20-16-21-15(19)22-23-16/h3-8H,1-2H3,(H4,19,20,21,22,23)
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70456
PNG
(US9693997, 116)
Show SMILES CNC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C16H14Cl2N6O/c1-20-14(25)9-4-2-8(3-5-9)13-11(17)6-10(7-12(13)18)21-16-22-15(19)23-24-16/h2-7H,1H3,(H,20,25)(H4,19,21,22,23,24)
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65597
PNG
(US9693997, 12)
Show SMILES CS(=O)(=O)NCc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C16H16Cl2N6O2S/c1-27(25,26)20-8-9-2-4-10(5-3-9)14-12(17)6-11(7-13(14)18)21-16-22-15(19)23-24-16/h2-7,20H,8H2,1H3,(H4,19,21,22,23,24)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70651
PNG
(US9693997, 177)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N6O4S/c1-33-15-3-2-11(8-16(15)35(31,32)30-4-6-34-7-5-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h2-3,8-10H,4-7H2,1H3,(H4,25,26,27,28,29)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70450
PNG
(US9693997, 111)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6O2S/c1-26(24,25)23-9-4-2-8(3-5-9)13-11(16)6-10(7-12(13)17)19-15-20-14(18)21-22-15/h2-7,23H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70636
PNG
(US9693997, 166)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H29ClF3N7O5S/c1-24(2,3)41-23(37)35-7-9-36(10-8-35)42(38,39)19-11-14(5-6-18(19)40-4)20-16(25(27,28)29)12-15(13-17(20)26)31-22-32-21(30)33-34-22/h5-6,11-13H,7-10H2,1-4H3,(H4,30,31,32,33,34)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70699
PNG
(US9693997, 218)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N6O4S/c1-19(2,9-31)30-35(32,33)15-6-10(4-5-14(15)34-3)16-12(20(22,23)24)7-11(8-13(16)21)26-18-27-17(25)28-29-18/h4-8,30-31H,9H2,1-3H3,(H4,25,26,27,28,29)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70703
PNG
(US9693997, 221)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C26H31ClF3N7O5S/c1-25(2,3)42-24(38)37-9-7-15(8-10-37)36-43(39,40)20-11-14(5-6-19(20)41-4)21-17(26(28,29)30)12-16(13-18(21)27)32-23-33-22(31)34-35-23/h5-6,11-13,15,36H,7-10H2,1-4H3,(H4,31,32,33,34,35)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70752
PNG
(US9693997, 254)
Show SMILES Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc3NC(=O)Cc3c2)n1
Show InChI InChI=1S/C16H12Cl2N6O/c17-10-5-9(20-16-22-15(19)23-24-16)6-11(18)14(10)7-1-2-12-8(3-7)4-13(25)21-12/h1-3,5-6H,4H2,(H,21,25)(H4,19,20,22,23,24)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70698
PNG
(US9693997, 217)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1OC(F)(F)F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H19ClF6N6O3S/c1-18(2,3)33-37(34,35)14-5-4-9(6-13(14)36-20(25,26)27)15-11(19(22,23)24)7-10(8-12(15)21)29-17-30-16(28)31-32-17/h4-8,33H,1-3H3,(H4,28,29,30,31,32)
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65623
PNG
(US9693997, 31)
Show SMILES CS(=O)(=O)Cc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C16H15Cl2N5O2S/c1-26(24,25)8-9-2-4-10(5-3-9)14-12(17)6-11(7-13(14)18)20-16-21-15(19)22-23-16/h2-7H,8H2,1H3,(H4,19,20,21,22,23)
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n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70459
PNG
(US9693997, 118)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6O2S/c1-19-26(24,25)10-4-2-8(3-5-10)13-11(16)6-9(7-12(13)17)20-15-21-14(18)22-23-15/h2-7,19H,1H3,(H4,18,20,21,22,23)
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HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70634
PNG
(US9693997, 164)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C18H20Cl2N6O2S/c1-18(2,3)26-29(27,28)12-6-4-10(5-7-12)15-13(19)8-11(9-14(15)20)22-17-23-16(21)24-25-17/h4-9,26H,1-3H3,(H4,21,22,23,24,25)
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n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70697
PNG
(US9693997, 216)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N6O3S/c1-19(2,3)30-34(31,32)15-7-10(5-6-14(15)33-4)16-12(20(22,23)24)8-11(9-13(16)21)26-18-27-17(25)28-29-18/h5-9,30H,1-4H3,(H4,25,26,27,28,29)
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n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70465
PNG
(US9693997, 122)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C17H17Cl2N5O2S/c1-9(2)27(25,26)12-5-3-10(4-6-12)15-13(18)7-11(8-14(15)19)21-17-22-16(20)23-24-17/h3-9H,1-2H3,(H4,20,21,22,23,24)
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n/an/an/an/a 4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65583
PNG
(US9693997, 2)
Show SMILES CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)C1
Show InChI InChI=1S/C26H30ClF3N6O4S/c1-25(2,3)40-24(37)36-10-4-5-15(13-36)14-41(38,39)18-8-6-16(7-9-18)21-19(26(28,29)30)11-17(12-20(21)27)32-23-33-22(31)34-35-23/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H4,31,32,33,34,35)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65584
PNG
(US9693997, 3)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N6O4S/c1-23(2,3)38-20(35)18-5-4-10-34(18)39(36,37)15-8-6-13(7-9-15)19-16(24(26,27)28)11-14(12-17(19)25)30-22-31-21(29)32-33-22/h6-9,11-12,18H,4-5,10H2,1-3H3,(H4,29,30,31,32,33)/t18-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65585
PNG
(US9693997, 4)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCN(CCC(F)(F)F)CC3)c(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1S/C23H23ClF6N6O2S/c24-18-12-14(32-21-33-20(31)34-35-21)11-17(23(28,29)30)19(18)13-1-3-15(4-2-13)39(37,38)16-5-8-36(9-6-16)10-7-22(25,26)27/h1-4,11-12,16H,5-10H2,(H4,31,32,33,34,35)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65586
PNG
(US9693997, 5)
Show SMILES CC(C)(C)CCN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C26H32ClF3N6O2S/c1-25(2,3)10-13-36-11-8-19(9-12-36)39(37,38)18-6-4-16(5-7-18)22-20(26(28,29)30)14-17(15-21(22)27)32-24-33-23(31)34-35-24/h4-7,14-15,19H,8-13H2,1-3H3,(H4,31,32,33,34,35)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70486
PNG
(US9693997, 136)
Show SMILES CC(C)(C)CCNCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C23H28ClF3N6O/c1-22(2,3)8-9-29-10-11-34-16-6-4-14(5-7-16)19-17(23(25,26)27)12-15(13-18(19)24)30-21-31-20(28)32-33-21/h4-7,12-13,29H,8-11H2,1-3H3,(H4,28,30,31,32,33)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70689
PNG
(US9693997, 209)
Show SMILES CN(CCNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H27ClF3N7O4S/c1-22(2,3)38-21(35)34(4)10-9-29-39(36,37)15-7-5-13(6-8-15)18-16(23(25,26)27)11-14(12-17(18)24)30-20-31-19(28)32-33-20/h5-8,11-12,29H,9-10H2,1-4H3,(H4,28,30,31,32,33)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70636
PNG
(US9693997, 166)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H29ClF3N7O5S/c1-24(2,3)41-23(37)35-7-9-36(10-8-35)42(38,39)19-11-14(5-6-18(19)40-4)20-16(25(27,28)29)12-15(13-17(20)26)31-22-32-21(30)33-34-22/h5-6,11-13H,7-10H2,1-4H3,(H4,30,31,32,33,34)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70797
PNG
(US9693997, 287)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2F)n[nH]1
Show InChI InChI=1S/C14H10Cl2FN5/c15-9-5-7(19-14-20-13(18)21-22-14)6-10(16)12(9)8-3-1-2-4-11(8)17/h1-6H,(H4,18,19,20,21,22)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70699
PNG
(US9693997, 218)
Show SMILES COc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N6O4S/c1-19(2,9-31)30-35(32,33)15-6-10(4-5-14(15)34-3)16-12(20(22,23)24)7-11(8-13(16)21)26-18-27-17(25)28-29-18/h4-8,30-31H,9H2,1-3H3,(H4,25,26,27,28,29)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70721
PNG
(US9693997, 234)
Show SMILES COc1ccc(cc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C23H24ClF6N7O3S/c1-40-17-3-2-12(8-18(17)41(38,39)37(11-22(25,26)27)14-4-6-32-7-5-14)19-15(23(28,29)30)9-13(10-16(19)24)33-21-34-20(31)35-36-21/h2-3,8-10,14,32H,4-7,11H2,1H3,(H4,31,33,34,35,36)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70767
PNG
(US9693997, 265)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC[C@@H]3CCCN3)cc2)n[nH]1
Show InChI InChI=1S/C19H20Cl2N6O/c20-15-8-13(24-19-25-18(22)26-27-19)9-16(21)17(15)11-3-5-14(6-4-11)28-10-12-2-1-7-23-12/h3-6,8-9,12,23H,1-2,7,10H2,(H4,22,24,25,26,27)/t12-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70629
PNG
(US9693997, 159)
Show SMILES NC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H12Cl2N6O/c16-10-5-9(20-15-21-14(19)22-23-15)6-11(17)12(10)7-1-3-8(4-2-7)13(18)24/h1-6H,(H2,18,24)(H4,19,20,21,22,23)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70633
PNG
(US9693997, 163)
Show SMILES COc1cc(ccc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C26H31ClF3N7O5S/c1-25(2,3)42-24(38)37-9-7-15(8-10-37)36-43(39,40)20-6-5-14(11-19(20)41-4)21-17(26(28,29)30)12-16(13-18(21)27)32-23-33-22(31)34-35-23/h5-6,11-13,15,36H,7-10H2,1-4H3,(H4,31,32,33,34,35)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70692
PNG
(US9693997, 212)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1(C)CN(C1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H29ClF3N7O5S/c1-23(2,3)41-22(37)36-11-24(4,12-36)35-42(38,39)18-8-13(6-7-17(18)40-5)19-15(25(27,28)29)9-14(10-16(19)26)31-21-32-20(30)33-34-21/h6-10,35H,11-12H2,1-5H3,(H4,30,31,32,33,34)
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n/an/an/an/a 5n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70451
PNG
(US9693997, 112)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6O2S/c1-26(24,25)23-9-4-2-3-8(5-9)13-11(16)6-10(7-12(13)17)19-15-20-14(18)21-22-15/h2-7,23H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 6n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65624
PNG
(US9693997, 32)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCC3CNC3)cc2)n[nH]1
Show InChI InChI=1S/C18H18Cl2N6O/c19-14-5-12(23-18-24-17(21)25-26-18)6-15(20)16(14)11-1-3-13(4-2-11)27-9-10-7-22-8-10/h1-6,10,22H,7-9H2,(H4,21,23,24,25,26)
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n/an/an/an/a 6n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65722
PNG
(US9693997, 94)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H13Cl2N5O2S/c1-25(23,24)10-4-2-8(3-5-10)13-11(16)6-9(7-12(13)17)19-15-20-14(18)21-22-15/h2-7H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70455
PNG
(US9693997, 115)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C17H16Cl2N6O/c1-25(2)15(26)10-5-3-4-9(6-10)14-12(18)7-11(8-13(14)19)21-17-22-16(20)23-24-17/h3-8H,1-2H3,(H4,20,21,22,23,24)
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n/an/an/an/a 7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70646
PNG
(US9693997, 173)
Show SMILES Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N[C@H]3C[C@H](O)C3)c(c2)C(F)(F)F)n[nH]1
Show InChI InChI=1S/C19H18ClF3N6O3S/c20-15-8-10(25-18-26-17(24)27-28-18)7-14(19(21,22)23)16(15)9-1-3-13(4-2-9)33(31,32)29-11-5-12(30)6-11/h1-4,7-8,11-12,29-30H,5-6H2,(H4,24,25,26,27,28)/t11-,12-
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n/an/an/an/a 7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65726
PNG
(US9693997, 97)
Show SMILES Cc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H13Cl2N5/c1-8-2-4-9(5-3-8)13-11(16)6-10(7-12(13)17)19-15-20-14(18)21-22-15/h2-7H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65660
PNG
(US9693997, 59)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N6O4S/c1-22(2,3)37-21(34)33-10-15(11-33)38(35,36)14-6-4-12(5-7-14)18-16(23(25,26)27)8-13(9-17(18)24)29-20-30-19(28)31-32-20/h4-9,15H,10-11H2,1-3H3,(H4,28,29,30,31,32)
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n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM65588
PNG
(US9693997, 6)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N6O4S/c1-24(2,3)39-23(36)35-10-4-5-17(13-35)40(37,38)16-8-6-14(7-9-16)20-18(25(27,28)29)11-15(12-19(20)26)31-22-32-21(30)33-34-22/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H4,30,31,32,33,34)
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n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70680
PNG
(US9693997, 203)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N6O3S/c1-33-15-5-4-11(8-16(15)34(31,32)30-6-2-3-7-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h4-5,8-10H,2-3,6-7H2,1H3,(H4,25,26,27,28,29)
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n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65616
PNG
(US9693997, 26)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCCCC#N)cc2)n[nH]1
Show InChI InChI=1S/C18H16Cl2N6O/c19-14-9-12(23-18-24-17(22)25-26-18)10-15(20)16(14)11-3-5-13(6-4-11)27-8-2-1-7-21/h3-6,9-10H,1-2,8H2,(H4,22,23,24,25,26)
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n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70437
PNG
(US9693997, 107)
Show SMILES CC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C16H13Cl2N5O/c1-8(24)9-2-4-10(5-3-9)14-12(17)6-11(7-13(14)18)20-16-21-15(19)22-23-16/h2-7H,1H3,(H4,19,20,21,22,23)
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n/an/an/an/a 8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65724
PNG
(US9693997, 96)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C14H10Cl3N5/c15-8-3-1-7(2-4-8)12-10(16)5-9(6-11(12)17)19-14-20-13(18)21-22-14/h1-6H,(H4,18,19,20,21,22)
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70637
PNG
(US9693997, 167)
Show SMILES COc1cc(ccc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
Show InChI InChI=1S/C22H24ClF3N6O4S/c1-36-17-8-11(2-7-18(17)37(34,35)32-12-3-5-14(33)6-4-12)19-15(22(24,25)26)9-13(10-16(19)23)28-21-29-20(27)30-31-21/h2,7-10,12,14,32-33H,3-6H2,1H3,(H4,27,28,29,30,31)/t12-,14-
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM70635
PNG
(US9693997, 165)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H17ClF6N6O2S/c1-17(2,19(24,25)26)32-35(33,34)11-5-3-9(4-6-11)14-12(18(21,22)23)7-10(8-13(14)20)28-16-29-15(27)30-31-16/h3-8,32H,1-2H3,(H4,27,28,29,30,31)
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65646
PNG
(US9693997, 48)
Show SMILES Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C14H11Cl2N5/c15-10-6-9(18-14-19-13(17)20-21-14)7-11(16)12(10)8-4-2-1-3-5-8/h1-7H,(H4,17,18,19,20,21)
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n/an/an/an/a 10n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM70453
PNG
(US9693997, 114)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H13Cl2N5O2S/c1-25(23,24)10-4-2-3-8(5-10)13-11(16)6-9(7-12(13)17)19-15-20-14(18)21-22-15/h2-7H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 10n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM65771
PNG
(US9693997, 98)
Show SMILES COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
Show InChI InChI=1S/C15H13Cl2N5O/c1-23-10-4-2-8(3-5-10)13-11(16)6-9(7-12(13)17)19-15-20-14(18)21-22-15/h2-7H,1H3,(H4,18,19,20,21,22)
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n/an/an/an/a 10n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...


US Patent US9693997 (2017)


BindingDB Entry DOI: 10.7270/Q2833Q56
More data for this
Ligand-Target Pair
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