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Compile Data Set for Download or QSAR

Found 1064 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein'   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30448
PNG
(benzothiazine-containing analog, 3a | pyridazin-3-...)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O
Show InChI InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3
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n/an/a<10n/a 1.10n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30466
PNG
(benzothiazine-containing analog, 4a)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O
Show InChI InChI=1S/C22H26N4O6S2/c1-22(2,3)9-11-26-21(28)19(20(27)17-6-5-10-25(17)26)16-13-34(31,32)18-12-14(24-33(4,29)30)7-8-15(18)23-16/h5-8,10,12,24,27H,9,11,13H2,1-4H3
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n/an/a<10n/a 1.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307542
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
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n/an/an/an/a 1.97n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

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))
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))
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))
BDBM307561
PNG
(5-(3-((2-cyanopropan-2-yl)carbamoyl)-4-(methoxy-d3...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN3O5/c1-6-38-24-15-25-21(26(29(36)33-4)27(39-25)17-7-10-19(31)11-8-17)14-20(24)18-9-12-23(37-5)22(13-18)28(35)34-30(2,3)16-32/h7-15H,6H2,1-5H3,(H,33,36)(H,34,35)
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n/an/an/an/a 2.01n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307542
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
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n/an/an/an/a 2.38n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307566
PNG
(5-(3-((2-(1,2,4-thiadiazol-3-yl)propan-2-yl)carbam...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncsn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O5S/c1-6-40-24-15-25-21(26(29(38)33-4)27(41-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-42-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
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n/an/an/an/a 2.49n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30458
PNG
(benzothiazine-containing analog, 3b)
Show SMILES CCC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O
Show InChI InChI=1S/C24H28N4O6S3/c1-5-24(2,3)10-11-28-23(30)20(22(29)21(26-28)18-7-6-12-35-18)17-14-37(33,34)19-13-15(27-36(4,31)32)8-9-16(19)25-17/h6-9,12-13,27,29H,5,10-11,14H2,1-4H3
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n/an/a<10n/a 2.70n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307550
PNG
(N-(2-cyanopropan-2-yl)-5-(6-ethoxy-2-(4-fluorophen...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN4O5/c1-6-38-22-13-23-20(24(27(36)32-4)25(39-23)16-7-9-18(30)10-8-16)12-19(22)17-11-21(28(37-5)33-14-17)26(35)34-29(2,3)15-31/h7-14H,6H2,1-5H3,(H,32,36)(H,34,35)
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n/an/an/an/a 2.80n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307551
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H26F4N4O6/c1-30(2,29-37-15-44-39-29)38-27(40)21-11-17(7-10-22(21)42-4)19-12-20-24(13-23(19)43-14-31(33,34)35)45-26(25(20)28(41)36-3)16-5-8-18(32)9-6-16/h5-13,15H,14H2,1-4H3,(H,36,41)(H,38,40)
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n/an/an/an/a 2.85n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307547
PNG
(BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)
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n/an/an/an/a 2.95n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

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))
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))
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))
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
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))
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))
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))
BDBM298513
PNG
(US10125111, Compound 3012)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NCC(F)(F)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C29H24F7N3O5S/c1-37-27(41)24-21-13-20(17-4-3-5-18(12-17)26(40)38-15-28(32,33)29(34,35)36)22(39(11-10-30)45(2,42)43)14-23(21)44-25(24)16-6-8-19(31)9-7-16/h3-9,12-14H,10-11,15H2,1-2H3,(H,37,41)(H,38,40)
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n/an/an/an/a 3.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM300790
PNG
(US10131645, Compound 2009)
Show SMILES CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C#N)C1CC1)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31FN4O5S/c1-5-37(43(4,40)41)26-17-27-25(28(31(39)35-3)29(42-27)19-9-13-23(33)14-10-19)16-24(26)20-7-6-8-21(15-20)30(38)36-32(2,18-34)22-11-12-22/h6-10,13-17,22H,5,11-12H2,1-4H3,(H,35,39)(H,36,38)
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n/an/an/an/a 3.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10131645 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307547
PNG
(BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)
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n/an/an/an/a 3.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307564
PNG
(N-(2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)-5-(2-(4-fl...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F4N5O6/c1-29(2,28-37-14-44-39-28)38-25(40)20-9-16(12-36-27(20)42-4)18-10-19-22(11-21(18)43-13-30(32,33)34)45-24(23(19)26(41)35-3)15-5-7-17(31)8-6-15/h5-12,14H,13H2,1-4H3,(H,35,41)(H,38,40)
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n/an/an/an/a 3.21n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30460
PNG
(benzothiazine-containing analog, 3d)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CC2)c1=O)-c1cccs1
Show InChI InChI=1S/C21H20N4O6S3/c1-33(28,29)24-13-6-7-14-17(9-13)34(30,31)11-15(22-14)18-20(26)19(16-3-2-8-32-16)23-25(21(18)27)10-12-4-5-12/h2-3,6-9,12,24,26H,4-5,10-11H2,1H3
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n/an/a 15n/a 3.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307546
PNG
(5-(6-Ethoxy-2-(4-fluorophenyl)-3-(methylcarbamoyl)...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H28FN5O5/c1-4-42-24-16-25-22(26(29(40)34-2)27(43-25)18-6-8-20(33)9-7-18)15-21(24)19-14-23(30(41-3)37-17-19)28(39)38-32(10-11-32)31-35-12-5-13-36-31/h5-9,12-17H,4,10-11H2,1-3H3,(H,34,40)(H,38,39)
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n/an/an/an/a 3.67n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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n/an/an/an/a 4n/an/a8.0n/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)

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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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
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307545
PNG
(6-Ethoxy-2-(4-fluorophenyl)-5-(4-methoxy-3-((1-(py...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FN4O5/c1-4-42-26-18-27-23(28(31(40)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(26)20-8-11-25(41-3)24(16-20)30(39)38-33(12-13-33)32-36-14-5-15-37-32/h5-11,14-18H,4,12-13H2,1-3H3,(H,35,40)(H,38,39)
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n/an/an/an/a 4.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307562
PNG
(5-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F4N5O5/c1-37-28(43)25-21-13-20(23(45-16-32(34,35)36)14-24(21)46-26(25)17-4-6-19(33)7-5-17)18-12-22(29(44-2)40-15-18)27(42)41-31(8-9-31)30-38-10-3-11-39-30/h3-7,10-15H,8-9,16H2,1-2H3,(H,37,43)(H,41,42)
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n/an/an/an/a 4.57n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30407
PNG
(5-hydroxy- 3(2H)-pyridazinone, 2 | BMCL185002 Comp...)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)
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n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30407
PNG
(5-hydroxy- 3(2H)-pyridazinone, 2 | BMCL185002 Comp...)
Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)
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n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM298506
PNG
(US10125111, Compound 3005)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28F2N4O5S/c1-30(2,17-33)35-28(37)20-7-5-6-19(14-20)22-15-23-25(16-24(22)36(13-12-31)42(4,39)40)41-27(26(23)29(38)34-3)18-8-10-21(32)11-9-18/h5-11,14-16H,12-13H2,1-4H3,(H,34,38)(H,35,37)
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n/an/an/an/a 5n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30415
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3h)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H25N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h5-8,10,12,23,27H,9,11H2,1-4H3,(H,22,24)
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PubMed
n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307543
PNG
(5-(3-((2-Cyanopropan-2-yl)carbamoyl)phenyl)-2-(4-f...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23F4N3O4/c1-28(2,14-34)36-26(37)18-6-4-5-17(11-18)20-12-21-23(13-22(20)39-15-29(31,32)33)40-25(24(21)27(38)35-3)16-7-9-19(30)10-8-16/h4-13H,15H2,1-3H3,(H,35,38)(H,36,37)
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n/an/an/an/a 5.01n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM298551
PNG
(US10125111, Compound 4007)
Show SMILES CNC(=O)c1c(oc2cc(N(CCCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NCC(F)(F)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C30H26F7N3O5S/c1-38-28(42)25-22-14-21(18-5-3-6-19(13-18)27(41)39-16-29(33,34)30(35,36)37)23(40(12-4-11-31)46(2,43)44)15-24(22)45-26(25)17-7-9-20(32)10-8-17/h3,5-10,13-15H,4,11-12,16H2,1-2H3,(H,38,42)(H,39,41)
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n/an/an/an/a 5.30n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM298511
PNG
(US10125111, Compound 3010)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC(C1CC1)C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H33F2N3O5S/c1-36-33(40)29-26-17-25(22-4-3-5-23(16-22)32(39)37-30(19-6-7-19)20-8-9-20)27(38(15-14-34)44(2,41)42)18-28(26)43-31(29)21-10-12-24(35)13-11-21/h3-5,10-13,16-20,30H,6-9,14-15H2,1-2H3,(H,36,40)(H,37,39)
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n/an/an/an/a 5.60n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM298572
PNG
(US10125111, Compound 4028)
Show SMILES CCC(CC)(NC(=O)c1cccc(c1)-c1cc2c(C(=O)NC)c(oc2cc1N(CCCF)S(C)(=O)=O)-c1ccc(F)cc1)C#C
Show InChI InChI=1S/C34H35F2N3O5S/c1-6-34(7-2,8-3)38-32(40)24-12-9-11-23(19-24)26-20-27-29(21-28(26)39(18-10-17-35)45(5,42)43)44-31(30(27)33(41)37-4)22-13-15-25(36)16-14-22/h1,9,11-16,19-21H,7-8,10,17-18H2,2-5H3,(H,37,41)(H,38,40)
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n/an/an/an/a 5.60n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM298508
PNG
(US10125111, Compound 3007)
Show SMILES CC[C@@H](NC(=O)c1cccc(c1)-c1cc2c(C(=O)NC)c(oc2cc1N(CCF)S(C)(=O)=O)-c1ccc(F)cc1)C1CC1
Show InChI InChI=1S/C32H33F2N3O5S/c1-4-26(19-8-9-19)36-31(38)22-7-5-6-21(16-22)24-17-25-28(18-27(24)37(15-14-33)43(3,40)41)42-30(29(25)32(39)35-2)20-10-12-23(34)13-11-20/h5-7,10-13,16-19,26H,4,8-9,14-15H2,1-3H3,(H,35,39)(H,36,38)/t26-/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM298573
PNG
(US10125111, Compound 4029)
Show SMILES CCC(C)(NC(=O)c1cccc(c1)-c1cc2c(C(=O)NC)c(oc2cc1N(CCCF)S(C)(=O)=O)-c1ccc(F)cc1)C#C
Show InChI InChI=1S/C33H33F2N3O5S/c1-6-33(3,7-2)37-31(39)23-11-8-10-22(18-23)25-19-26-28(20-27(25)38(17-9-16-34)44(5,41)42)43-30(29(26)32(40)36-4)21-12-14-24(35)15-13-21/h1,8,10-15,18-20H,7,9,16-17H2,2-5H3,(H,36,40)(H,37,39)
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n/an/an/an/a 5.90n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10125111 (2018)

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))
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))
BDBM307558
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H31FN4O6/c1-6-13-41-25-16-26-22(27(30(39)34-4)28(43-26)18-7-10-20(33)11-8-18)15-21(25)19-9-12-24(40-5)23(14-19)29(38)36-32(2,3)31-35-17-42-37-31/h7-12,14-17H,6,13H2,1-5H3,(H,34,39)(H,36,38)
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n/an/an/an/a 6.23n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)

More data for this
Ligand-Target Pair
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