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Patent code US9457039

Compile Data Set for Download or QSAR
Found 24 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)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249199
PNG
(US9457039, 22)
Show SMILES C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnc2c(N)ncnn12
Show InChI InChI=1S/C11H17N8O12P3/c1-11(17-18-13)7(20)6(3-28-33(24,25)31-34(26,27)30-32(21,22)23)29-8(11)5-2-14-10-9(12)15-4-16-19(5)10/h2,4,6-8,20H,3H2,1H3,(H,24,25)(H,26,27)(H2,12,15,16)(H2,21,22,23)/p-4/t6-,7-,8+,11-/m1/s1
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US Patent
n/an/a 930n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249201
PNG
(US9457039, 24)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12
Show InChI InChI=1S/C12H20N5O12P3/c1-12(14)9(18)8(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(12)6-2-3-7-11(13)15-5-16-17(6)7/h2-3,5,8-10,18H,4,14H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/p-4/t8-,9-,10+,12-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249200
PNG
(US9457039, 23)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnc2c(N)ncnn12
Show InChI InChI=1S/C11H19N6O12P3/c1-11(13)7(18)6(3-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(11)5-2-14-10-9(12)15-4-16-17(5)10/h2,4,6-8,18H,3,13H2,1H3,(H,22,23)(H,24,25)(H2,12,15,16)(H2,19,20,21)/p-4/t6-,7-,8+,11-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249202
PNG
(US9457039, 25)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1cnn2c(N)ncnc12
Show InChI InChI=1S/C11H19N6O12P3/c1-11(13)7(18)6(3-26-31(22,23)29-32(24,25)28-30(19,20)21)27-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18H,3,13H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t6-,7-,8+,11-/m1/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249184
PNG
(US9457039, 7)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1cnn2c(N)ncnc12
Show InChI InChI=1S/C11H16N6O3/c1-11(13)7(19)6(3-18)20-8(11)5-2-16-17-9(5)14-4-15-10(17)12/h2,4,6-8,18-19H,3,13H2,1H3,(H2,12,14,15)/t6-,7-,8+,11-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249186
PNG
(US9457039, 9)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1cnc2c(N)ncnn12
Show InChI InChI=1S/C12H15N7O3/c1-11(15)8(21)6(3-20)22-12(11,4-13)7-2-16-10-9(14)17-5-18-19(7)10/h2,5-6,8,20-21H,3,15H2,1H3,(H2,14,17,18)/t6-,8-,11-,12+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249193
PNG
(US9457039, 18 | US9457039, 19)
Show SMILES CC(C)OP1(=O)OC[C@H]2O[C@@H](c3cnc4c(N)ncnn34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C14H21N6O5P/c1-7(2)24-26(21)22-5-9-11(25-26)14(3,16)10(23-9)8-4-17-13-12(15)18-6-19-20(8)13/h4,6-7,9-11H,5,16H2,1-3H3,(H2,15,18,19)/t9-,10+,11-,14+,26?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249179
PNG
(US9457039, 2)
Show SMILES C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12
Show InChI InChI=1S/C12H15N7O3/c1-12(17-18-14)9(21)8(4-20)22-10(12)6-2-3-7-11(13)15-5-16-19(6)7/h2-3,5,8-10,20-21H,4H2,1H3,(H2,13,15,16)/t8-,9-,10+,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249181
PNG
(US9457039, 4)
Show SMILES C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H]1c1cnn2c(N)ncnc12
Show InChI InChI=1S/C11H14N8O3/c1-11(17-18-13)7(21)6(3-20)22-8(11)5-2-16-19-9(5)14-4-15-10(19)12/h2,4,6-8,20-21H,3H2,1H3,(H2,12,14,15)/t6-,7-,8+,11-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249189
PNG
(US9457039, 12 | US9457039, 13)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)[C@](C)(N)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C23H32N7O7P/c1-13(2)35-22(32)14(3)29-38(33,37-15-8-6-5-7-9-15)34-11-17-18(31)23(4,25)19(36-17)16-10-26-21-20(24)27-12-28-30(16)21/h5-10,12-14,17-19,31H,11,25H2,1-4H3,(H,29,33)(H2,24,27,28)/t14-,17+,18+,19-,23+,38?/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249189
PNG
(US9457039, 12 | US9457039, 13)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)[C@](C)(N)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C23H32N7O7P/c1-13(2)35-22(32)14(3)29-38(33,37-15-8-6-5-7-9-15)34-11-17-18(31)23(4,25)19(36-17)16-10-26-21-20(24)27-12-28-30(16)21/h5-10,12-14,17-19,31H,11,25H2,1-4H3,(H,29,33)(H2,24,27,28)/t14-,17+,18+,19-,23+,38?/m0/s1
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n/an/an/an/a 1.60E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249192
PNG
(US9457039, 16 | US9457039, 17)
Show SMILES CC(C)(C)COP1(=O)OC[C@H]2O[C@@H](c3ccc4c(N)ncnn34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C17H26N5O5P/c1-16(2,3)8-25-28(23)24-7-12-14(27-28)17(4,19)13(26-12)10-5-6-11-15(18)20-9-21-22(10)11/h5-6,9,12-14H,7-8,19H2,1-4H3,(H2,18,20,21)/t12-,13+,14-,17+,28?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249187
PNG
(US9457039, 10)
Show SMILES CO[C@@]1(O[C@H](CO)[C@@H](O)[C@@]1(C)N)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C13H19N5O4/c1-12(15)10(20)8(5-19)22-13(12,21-2)9-4-3-7-11(14)16-6-17-18(7)9/h3-4,6,8,10,19-20H,5,15H2,1-2H3,(H2,14,16,17)/t8-,10-,12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249192
PNG
(US9457039, 16 | US9457039, 17)
Show SMILES CC(C)(C)COP1(=O)OC[C@H]2O[C@@H](c3ccc4c(N)ncnn34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C17H26N5O5P/c1-16(2,3)8-25-28(23)24-7-12-14(27-28)17(4,19)13(26-12)10-5-6-11-15(18)20-9-21-22(10)11/h5-6,9,12-14H,7-8,19H2,1-4H3,(H2,18,20,21)/t12-,13+,14-,17+,28?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249193
PNG
(US9457039, 18 | US9457039, 19)
Show SMILES CC(C)OP1(=O)OC[C@H]2O[C@@H](c3cnc4c(N)ncnn34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C14H21N6O5P/c1-7(2)24-26(21)22-5-9-11(25-26)14(3,16)10(23-9)8-4-17-13-12(15)18-6-19-20(8)13/h4,6-7,9-11H,5,16H2,1-3H3,(H2,15,18,19)/t9-,10+,11-,14+,26?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249185
PNG
(US9457039, 8)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@@]1(C#N)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C13H16N6O3/c1-12(16)10(21)8(4-20)22-13(12,5-14)9-3-2-7-11(15)17-6-18-19(7)9/h2-3,6,8,10,20-21H,4,16H2,1H3,(H2,15,17,18)/t8-,10-,12-,13+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249190
PNG
(US9457039, 14 | US9457039, 15)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](c2cnn3c(N)ncnc23)[C@](C)(N)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C23H32N7O7P/c1-13(2)35-21(32)14(3)29-38(33,37-15-8-6-5-7-9-15)34-11-17-18(31)23(4,25)19(36-17)16-10-28-30-20(16)26-12-27-22(30)24/h5-10,12-14,17-19,31H,11,25H2,1-4H3,(H,29,33)(H2,24,26,27)/t14-,17+,18+,19-,23+,38?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249195
PNG
(US9457039, 20 | US9457039, 21)
Show SMILES CC(C)OP1(=O)OC[C@H]2O[C@@H](c3cnn4c(N)ncnc34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C14H21N6O5P/c1-7(2)24-26(21)22-5-9-11(25-26)14(3,16)10(23-9)8-4-19-20-12(8)17-6-18-13(20)15/h4,6-7,9-11H,5,16H2,1-3H3,(H2,15,17,18)/t9-,10+,11-,14+,26?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249183
PNG
(US9457039, 6)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ncnn12
Show InChI InChI=1S/C11H16N6O3/c1-11(13)7(19)6(3-18)20-8(11)5-2-14-10-9(12)15-4-16-17(5)10/h2,4,6-8,18-19H,3,13H2,1H3,(H2,12,15,16)/t6-,7-,8+,11-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249182
PNG
(US9457039, 5)
Show SMILES C[C@@]1(N)[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12
Show InChI InChI=1S/C12H17N5O3/c1-12(14)9(19)8(4-18)20-10(12)6-2-3-7-11(13)15-5-16-17(6)7/h2-3,5,8-10,18-19H,4,14H2,1H3,(H2,13,15,16)/t8-,9-,10+,12-/m1/s1
PDB

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249180
PNG
(US9457039, 3)
Show SMILES C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)ncnn12
Show InChI InChI=1S/C11H14N8O3/c1-11(17-18-13)7(21)6(3-20)22-8(11)5-2-14-10-9(12)15-4-16-19(5)10/h2,4,6-8,20-21H,3H2,1H3,(H2,12,15,16)/t6-,7-,8+,11-/m1/s1
PDB

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



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249195
PNG
(US9457039, 20 | US9457039, 21)
Show SMILES CC(C)OP1(=O)OC[C@H]2O[C@@H](c3cnn4c(N)ncnc34)[C@](C)(N)[C@@H]2O1
Show InChI InChI=1S/C14H21N6O5P/c1-7(2)24-26(21)22-5-9-11(25-26)14(3,16)10(23-9)8-4-19-20-12(8)17-6-18-13(20)15/h4,6-7,9-11H,5,16H2,1-3H3,(H2,15,17,18)/t9-,10+,11-,14+,26?/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249188
PNG
(US9457039, 11)
Show SMILES CO[C@@]1(O[C@H](CO)[C@@H](O)[C@@]1(C)N)c1cnc2c(N)ncnn12
Show InChI InChI=1S/C12H18N6O4/c1-11(14)8(20)6(4-19)22-12(11,21-2)7-3-15-10-9(13)16-5-17-18(7)10/h3,5-6,8,19-20H,4,14H2,1-2H3,(H2,13,16,17)/t6-,8-,11-,12-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM249190
PNG
(US9457039, 14 | US9457039, 15)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](c2cnn3c(N)ncnc23)[C@](C)(N)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1S/C23H32N7O7P/c1-13(2)35-21(32)14(3)29-38(33,37-15-8-6-5-7-9-15)34-11-17-18(31)23(4,25)19(36-17)16-10-28-30-20(16)26-12-27-22(30)24/h5-10,12-14,17-19,31H,11,25H2,1-4H3,(H,29,33)(H2,24,26,27)/t14-,17+,18+,19-,23+,38?/m0/s1
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n/an/an/an/a 2.80E+4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure cell-based anti-HCV activity of selected compounds of the present invention, replicon cells were seeded at 5000 cells/well in 96-well coll...


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