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Patent code US9394331

Compile Data Set for Download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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
RNA-directed RNA polymerase (NS5B) (S282T)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240845
PNG
(US9394331, 140 | US9394331, 52)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCO2)c(=O)n1
Show InChI InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6?,8-,9?,11-/m1/s1
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n/an/a 5.67E+4n/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


Citation and Details
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B) (S282T)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240844
PNG
(US9394331, 136 | US9394331, 48)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O
Show InChI InChI=1S/C11H14N2O6/c14-5-6-8(16)11(2-4-18-11)9(19-6)13-3-1-7(15)12-10(13)17/h1,3,6,8-9,14,16H,2,4-5H2,(H,12,15,17)/t6?,8-,9?,11-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


Citation and Details
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase (NS5B) (S282T)


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240843
PNG
(US9394331, 137 | US9394331, 49)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCCO2)c(=O)n1
Show InChI InChI=1S/C12H17N3O5/c13-8-2-4-15(11(18)14-8)10-12(3-1-5-19-12)9(17)7(6-16)20-10/h2,4,7,9-10,16-17H,1,3,5-6H2,(H2,13,14,18)/t7?,9-,10?,12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240838
PNG
(US9394331, 135 | US9394331, 32)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@]2(CCCO2)[C@@H]1O
Show InChI InChI=1S/C12H16N2O6/c15-6-7-9(17)12(3-1-5-19-12)10(20-7)14-4-2-8(16)13-11(14)18/h2,4,7,9-10,15,17H,1,3,5-6H2,(H,13,16,18)/t7?,9-,10?,12+/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240843
PNG
(US9394331, 137 | US9394331, 49)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCCO2)c(=O)n1
Show InChI InChI=1S/C12H17N3O5/c13-8-2-4-15(11(18)14-8)10-12(3-1-5-19-12)9(17)7(6-16)20-10/h2,4,7,9-10,16-17H,1,3,5-6H2,(H2,13,14,18)/t7?,9-,10?,12-/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240856
PNG
(US9394331, 118 | US9394331, 119)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C25H33N6O9P/c1-14(2)38-22(33)15(3)30-41(34,40-16-8-6-5-7-9-16)37-12-17-19(32)25(10-11-36-25)23(39-17)31-13-27-18-20(31)28-24(26)29-21(18)35-4/h5-9,13-15,17,19,23,32H,10-12H2,1-4H3,(H,30,34)(H2,26,28,29)/t15-,17+,19+,23?,25+,41?/m0/s1
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n/an/an/an/a 4.52E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240858
PNG
(US9394331, 120 | US9394331, 121)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C27H37N6O9P/c1-16(23(35)38-14-26(2,3)4)32-43(36,42-17-9-7-6-8-10-17)40-13-18-20(34)27(11-12-39-27)24(41-18)33-15-29-19-21(33)30-25(28)31-22(19)37-5/h6-10,15-16,18,20,24,34H,11-14H2,1-5H3,(H,32,36)(H2,28,30,31)/t16-,18+,20+,24?,27+,43?/m0/s1
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n/an/an/an/a 9.31E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240862
PNG
(US9394331, 124)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OCC(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C26H35N6O9P/c1-15(2)12-37-23(34)16(3)31-42(35,41-17-8-6-5-7-9-17)39-13-18-20(33)26(10-11-38-26)24(40-18)32-14-28-19-21(32)29-25(27)30-22(19)36-4/h5-9,14-16,18,20,24,33H,10-13H2,1-4H3,(H,31,35)(H2,27,29,30)/t16-,18?,20+,24?,26+,42?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240866
PNG
(US9394331, 128 | US9394331, 129)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OC2CCCC2)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C27H35N6O9P/c1-16(24(35)40-17-8-6-7-9-17)32-43(36,42-18-10-4-3-5-11-18)39-14-19-21(34)27(12-13-38-27)25(41-19)33-15-29-20-22(33)30-26(28)31-23(20)37-2/h3-5,10-11,15-17,19,21,25,34H,6-9,12-14H2,1-2H3,(H,32,36)(H2,28,30,31)/t16-,19?,21+,25?,27+,43?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240853
PNG
(US9394331, 116)
Show SMILES COC(=O)[C@H](C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C22H28N3O10P/c1-14(19(28)31-2)24-36(30,35-15-7-4-3-5-8-15)33-13-16-18(27)22(10-6-12-32-22)20(34-16)25-11-9-17(26)23-21(25)29/h3-5,7-9,11,14,16,18,20,27H,6,10,12-13H2,1-2H3,(H,24,30)(H,23,26,29)/t14-,16?,18+,20?,22+,36?/m0/s1
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n/an/an/an/a 2.83E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240855
PNG
(US9394331, 113)
Show SMILES COC(=O)[C@H](C)NP(=O)(OCC1OC(n2cnc3c(OC)nc(N)nc23)[C@@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C23H29N6O9P/c1-13(20(31)34-3)28-39(32,38-14-7-5-4-6-8-14)36-11-15-17(30)23(9-10-35-23)21(37-15)29-12-25-16-18(29)26-22(24)27-19(16)33-2/h4-8,12-13,15,17,21,30H,9-11H2,1-3H3,(H,28,32)(H2,24,26,27)/t13-,15?,17+,21?,23+,39?/m0/s1
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n/an/an/an/a 1.55E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240866
PNG
(US9394331, 128 | US9394331, 129)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OC2CCCC2)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C27H35N6O9P/c1-16(24(35)40-17-8-6-7-9-17)32-43(36,42-18-10-4-3-5-11-18)39-14-19-21(34)27(12-13-38-27)25(41-19)33-15-29-20-22(33)30-26(28)31-23(20)37-2/h3-5,10-11,15-17,19,21,25,34H,6-9,12-14H2,1-2H3,(H,32,36)(H2,28,30,31)/t16-,19?,21+,25?,27+,43?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240844
PNG
(US9394331, 136 | US9394331, 48)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O
Show InChI InChI=1S/C11H14N2O6/c14-5-6-8(16)11(2-4-18-11)9(19-6)13-3-1-7(15)12-10(13)17/h1,3,6,8-9,14,16H,2,4-5H2,(H,12,15,17)/t6?,8-,9?,11-/m1/s1
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n/an/an/an/a 3.94E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240842
PNG
(US9394331, 44)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCCO2)C1O
Show InChI InChI=1S/C12H16N2O6/c15-6-7-9(17)12(3-1-5-19-12)10(20-7)14-4-2-8(16)13-11(14)18/h2,4,7,9-10,15,17H,1,3,5-6H2,(H,13,16,18)/t7?,9?,10?,12-/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240849
PNG
(US9394331, 77)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1OC(CO)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C12H15N5O5/c13-11-15-8-6(9(20)16-11)14-4-17(8)10-12(1-2-21-12)7(19)5(3-18)22-10/h4-5,7,10,18-19H,1-3H2,(H3,13,15,16,20)/t5?,7-,10?,12-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240856
PNG
(US9394331, 118 | US9394331, 119)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C25H33N6O9P/c1-14(2)38-22(33)15(3)30-41(34,40-16-8-6-5-7-9-16)37-12-17-19(32)25(10-11-36-25)23(39-17)31-13-27-18-20(31)28-24(26)29-21(18)35-4/h5-9,13-15,17,19,23,32H,10-12H2,1-4H3,(H,30,34)(H2,26,28,29)/t15-,17+,19+,23?,25+,41?/m0/s1
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n/an/an/an/a 1.49E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240864
PNG
(US9394331, 126 | US9394331, 127)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(OCC1OC(n2cnc3c(OC)nc(N)nc23)[C@@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C26H35N6O9P/c1-4-5-12-37-23(34)16(2)31-42(35,41-17-9-7-6-8-10-17)39-14-18-20(33)26(11-13-38-26)24(40-18)32-15-28-19-21(32)29-25(27)30-22(19)36-3/h6-10,15-16,18,20,24,33H,4-5,11-14H2,1-3H3,(H,31,35)(H2,27,29,30)/t16-,18?,20+,24?,26+,42?/m0/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240868
PNG
(US9394331, 130 | US9394331, 131)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C29H33N6O9P/c1-18(26(37)40-15-19-9-5-3-6-10-19)34-45(38,44-20-11-7-4-8-12-20)42-16-21-23(36)29(13-14-41-29)27(43-21)35-17-31-22-24(35)32-28(30)33-25(22)39-2/h3-12,17-18,21,23,27,36H,13-16H2,1-2H3,(H,34,38)(H2,30,32,33)/t18-,21?,23+,27?,29+,45?/m0/s1
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n/an/an/an/a 8.65E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240845
PNG
(US9394331, 140 | US9394331, 52)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCO2)c(=O)n1
Show InChI InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6?,8-,9?,11-/m1/s1
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n/an/an/an/a>8.48E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240839
PNG
(US9394331, 138 | US9394331, 50)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@@]22CCCO2)c(=O)n1
Show InChI InChI=1S/C12H17N3O5/c13-8-2-4-15(11(18)14-8)10-12(3-1-5-19-12)9(17)7(6-16)20-10/h2,4,7,9-10,16-17H,1,3,5-6H2,(H2,13,14,18)/t7?,9-,10?,12+/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240868
PNG
(US9394331, 130 | US9394331, 131)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C29H33N6O9P/c1-18(26(37)40-15-19-9-5-3-6-10-19)34-45(38,44-20-11-7-4-8-12-20)42-16-21-23(36)29(13-14-41-29)27(43-21)35-17-31-22-24(35)32-28(30)33-25(22)39-2/h3-12,17-18,21,23,27,36H,13-16H2,1-2H3,(H,34,38)(H2,30,32,33)/t18-,21?,23+,27?,29+,45?/m0/s1
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n/an/an/an/a 1.17E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240839
PNG
(US9394331, 138 | US9394331, 50)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@@]22CCCO2)c(=O)n1
Show InChI InChI=1S/C12H17N3O5/c13-8-2-4-15(11(18)14-8)10-12(3-1-5-19-12)9(17)7(6-16)20-10/h2,4,7,9-10,16-17H,1,3,5-6H2,(H2,13,14,18)/t7?,9-,10?,12+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240841
PNG
(US9394331, 139 | US9394331, 51)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@@]22CCO2)c(=O)n1
Show InChI InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6?,8-,9?,11+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240844
PNG
(US9394331, 136 | US9394331, 48)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O
Show InChI InChI=1S/C11H14N2O6/c14-5-6-8(16)11(2-4-18-11)9(19-6)13-3-1-7(15)12-10(13)17/h1,3,6,8-9,14,16H,2,4-5H2,(H,12,15,17)/t6?,8-,9?,11-/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240851
PNG
(US9394331, 114)
Show SMILES COC(=O)[C@H](C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)[C@]2(CCCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C22H28N3O10P/c1-14(19(28)31-2)24-36(30,35-15-7-4-3-5-8-15)33-13-16-18(27)22(10-6-12-32-22)20(34-16)25-11-9-17(26)23-21(25)29/h3-5,7-9,11,14,16,18,20,27H,6,10,12-13H2,1-2H3,(H,24,30)(H,23,26,29)/t14-,16?,18+,20?,22-,36?/m0/s1
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n/an/an/an/a 2.06E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240858
PNG
(US9394331, 120 | US9394331, 121)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C27H37N6O9P/c1-16(23(35)38-14-26(2,3)4)32-43(36,42-17-9-7-6-8-10-17)40-13-18-20(34)27(11-12-39-27)24(41-18)33-15-29-19-21(33)30-25(28)31-22(19)37-5/h6-10,15-16,18,20,24,34H,11-14H2,1-5H3,(H,32,36)(H2,28,30,31)/t16-,18+,20+,24?,27+,43?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240860
PNG
(US9394331, 122)
Show SMILES CCOC(=O)[C@H](C)NP(=O)(OCC1OC(n2cnc3c(OC)nc(N)nc23)[C@@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C24H31N6O9P/c1-4-35-21(32)14(2)29-40(33,39-15-8-6-5-7-9-15)37-12-16-18(31)24(10-11-36-24)22(38-16)30-13-26-17-19(30)27-23(25)28-20(17)34-3/h5-9,13-14,16,18,22,31H,4,10-12H2,1-3H3,(H,29,33)(H2,25,27,28)/t14-,16?,18+,22?,24+,40?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240861
PNG
(US9394331, 123)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C31H39N6O9P/c1-18(27(39)42-16-30(2,3)4)36-47(40,46-21-12-8-10-19-9-6-7-11-20(19)21)44-15-22-24(38)31(13-14-43-31)28(45-22)37-17-33-23-25(37)34-29(32)35-26(23)41-5/h6-12,17-18,22,24,28,38H,13-16H2,1-5H3,(H,36,40)(H2,32,34,35)/t18-,22?,24+,28?,31+,47?/m0/s1
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Gilead Pharmasset LLC

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Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240870
PNG
(US9394331, 132)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC2COP(=O)(OCC(C)(C)C)O[C@H]2[C@]11CCO1
Show InChI InChI=1S/C18H26N5O7P/c1-17(2,3)8-28-31(24)27-7-10-12(30-31)18(5-6-26-18)15(29-10)23-9-20-11-13(23)21-16(19)22-14(11)25-4/h9-10,12,15H,5-8H2,1-4H3,(H2,19,21,22)/t10?,12-,15?,18-,31?/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240841
PNG
(US9394331, 139 | US9394331, 51)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@@]22CCO2)c(=O)n1
Show InChI InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6?,8-,9?,11+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240854
PNG
(US9394331, 117)
Show SMILES COC(=O)[C@H](C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C21H26N3O10P/c1-13(18(27)30-2)23-35(29,34-14-6-4-3-5-7-14)32-12-15-17(26)21(9-11-31-21)19(33-15)24-10-8-16(25)22-20(24)28/h3-8,10,13,15,17,19,26H,9,11-12H2,1-2H3,(H,23,29)(H,22,25,28)/t13-,15?,17+,19?,21+,35?/m0/s1
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n/an/an/an/a 1.67E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240863
PNG
(US9394331, 125)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)C)Oc2ccccc2)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C26H35N6O9P/c1-15(2)12-37-23(34)16(3)31-42(35,41-17-8-6-5-7-9-17)39-13-18-20(33)26(10-11-38-26)24(40-18)32-14-28-19-21(32)29-25(27)30-22(19)36-4/h5-9,14-16,18,20,24,33H,10-13H2,1-4H3,(H,31,35)(H2,27,29,30)/t16-,18+,20+,24?,26+,42?/m0/s1
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n/an/an/an/a 4.42E+3n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240864
PNG
(US9394331, 126 | US9394331, 127)
Show SMILES CCCCOC(=O)[C@H](C)NP(=O)(OCC1OC(n2cnc3c(OC)nc(N)nc23)[C@@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C26H35N6O9P/c1-4-5-12-37-23(34)16(2)31-42(35,41-17-9-7-6-8-10-17)39-14-18-20(33)26(11-13-38-26)24(40-18)32-15-28-19-21(32)29-25(27)30-22(19)36-3/h6-10,15-16,18,20,24,33H,4-5,11-14H2,1-3H3,(H,31,35)(H2,27,29,30)/t16-,18?,20+,24?,26+,42?/m0/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240840
PNG
(US9394331, 36)
Show SMILES OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@]2(CCO2)[C@@H]1O
Show InChI InChI=1S/C11H14N2O6/c14-5-6-8(16)11(2-4-18-11)9(19-6)13-3-1-7(15)12-10(13)17/h1,3,6,8-9,14,16H,2,4-5H2,(H,12,15,17)/t6-,8-,9-,11+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240846
PNG
(US9394331, 62)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(CO)[C@@H](O)[C@@]11CCCO1
Show InChI InChI=1S/C14H19N5O5/c1-22-11-8-10(17-13(15)18-11)19(6-16-8)12-14(3-2-4-23-14)9(21)7(5-20)24-12/h6-7,9,12,20-21H,2-5H2,1H3,(H2,15,17,18)/t7?,9-,12?,14+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240847
PNG
(US9394331, 72)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(CO)[C@@H](O)[C@]11CCCO1
Show InChI InChI=1S/C14H19N5O5/c1-22-11-8-10(17-13(15)18-11)19(6-16-8)12-14(3-2-4-23-14)9(21)7(5-20)24-12/h6-7,9,12,20-21H,2-5H2,1H3,(H2,15,17,18)/t7?,9-,12?,14-/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240848
PNG
(US9394331, 76)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC(CO)[C@@H](O)[C@]11CCO1
Show InChI InChI=1S/C13H17N5O5/c1-21-10-7-9(16-12(14)17-10)18(5-15-7)11-13(2-3-22-13)8(20)6(4-19)23-11/h5-6,8,11,19-20H,2-4H2,1H3,(H2,14,16,17)/t6?,8-,11?,13-/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240850
PNG
(US9394331, 66)
Show SMILES COc1nc(N)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@@]11CCO1
Show InChI InChI=1S/C13H17N5O5/c1-21-10-7-9(16-12(14)17-10)18(5-15-7)11-13(2-3-22-13)8(20)6(4-19)23-11/h5-6,8,11,19-20H,2-4H2,1H3,(H2,14,16,17)/t6-,8-,11?,13+/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240852
PNG
(US9394331, 115)
Show SMILES COC(=O)[C@H](C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)[C@]2(CCO2)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C21H26N3O10P/c1-13(18(27)30-2)23-35(29,34-14-6-4-3-5-7-14)32-12-15-17(26)21(9-11-31-21)19(33-15)24-10-8-16(25)22-20(24)28/h3-8,10,13,15,17,19,26H,9,11-12H2,1-2H3,(H,23,29)(H,22,25,28)/t13-,15?,17+,19?,21-,35?/m0/s1
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n/an/an/an/a 2.85E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240871
PNG
(US9394331, 133)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC2COP(=O)(OC(C)C)O[C@H]2[C@]11CCO1
Show InChI InChI=1S/C16H22N5O7P/c1-8(2)27-29(22)25-6-9-11(28-29)16(4-5-24-16)14(26-9)21-7-18-10-12(21)19-15(17)20-13(10)23-3/h7-9,11,14H,4-6H2,1-3H3,(H2,17,19,20)/t9?,11-,14?,16-,29?/m1/s1
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Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240843
PNG
(US9394331, 137 | US9394331, 49)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCCO2)c(=O)n1
Show InChI InChI=1S/C12H17N3O5/c13-8-2-4-15(11(18)14-8)10-12(3-1-5-19-12)9(17)7(6-16)20-10/h2,4,7,9-10,16-17H,1,3,5-6H2,(H2,13,14,18)/t7?,9-,10?,12-/m1/s1
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n/an/an/an/a>4.53E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240838
PNG
(US9394331, 135 | US9394331, 32)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@]2(CCCO2)[C@@H]1O
Show InChI InChI=1S/C12H16N2O6/c15-6-7-9(17)12(3-1-5-19-12)10(20-7)14-4-2-8(16)13-11(14)18/h2,4,7,9-10,15,17H,1,3,5-6H2,(H,13,16,18)/t7?,9-,10?,12+/m1/s1
PDB

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UniChem
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n/an/an/an/a>1.00E+5n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240845
PNG
(US9394331, 140 | US9394331, 52)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@]22CCO2)c(=O)n1
Show InChI InChI=1S/C11H15N3O5/c12-7-1-3-14(10(17)13-7)9-11(2-4-18-11)8(16)6(5-15)19-9/h1,3,6,8-9,15-16H,2,4-5H2,(H2,12,13,17)/t6?,8-,9?,11-/m1/s1
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n/an/an/an/a>5.45E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


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


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240872
PNG
(US9394331, 134)
Show SMILES COc1nc(N)nc2n(cnc12)C1OC2COP(=O)(OC3CCCC3)O[C@H]2[C@]11CCO1
Show InChI InChI=1S/C18H24N5O7P/c1-25-15-12-14(21-17(19)22-15)23(9-20-12)16-18(6-7-26-18)13-11(28-16)8-27-31(24,30-13)29-10-4-2-3-5-10/h9-11,13,16H,2-8H2,1H3,(H2,19,21,22)/t11?,13-,16?,18-,31?/m1/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Gilead Pharmasset LLC

US Patent


Assay Description
The HCV NS5B reaction was performed in a 20 μL mixture containing varying concentrations of the test compound, 1 μM of all four natural ribonuc...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%