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Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein [2420-3010]'   
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
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243470
PNG
(US9427440, 18)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCCCN(C)S(=O)(=O)NC5=O |c:25|
Show InChI InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)
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n/an/a 26n/an/an/an/an/a25



Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243471
PNG
(US9427440, 19)
Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C=C(Cn4c3c2)C1=O |c:36|
Show InChI InChI=1S/C31H35FN4O5S/c1-34-12-14-41-15-13-35(2)42(39,40)33-30(37)21-8-10-26-27(18-21)36-19-23(31(34)38)16-22-17-24(32)9-11-25(22)29(36)28(26)20-6-4-3-5-7-20/h8-11,16-18,20H,3-7,12-15,19H2,1-2H3,(H,33,37)
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n/an/a 31n/an/an/an/an/a25



Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243472
PNG
(US9427440, 20)
Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C(C)=C(Cn4c3c2)C1=O |c:37|
Show InChI InChI=1S/C32H37FN4O5S/c1-20-26-18-23(33)10-12-24(26)30-29(21-7-5-4-6-8-21)25-11-9-22-17-28(25)37(30)19-27(20)32(39)35(2)13-15-42-16-14-36(3)43(40,41)34-31(22)38/h9-12,17-18,21H,4-8,13-16,19H2,1-3H3,(H,34,38)
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n/an/a 38n/an/an/an/an/a25



Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243456
PNG
(US9427440, 1)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25|
Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)
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n/an/a 38n/an/an/an/an/a25



Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243468
PNG
(US9427440, 16)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=C(C)c2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |t:25|
Show InChI InChI=1S/C33H40N4O6S/c1-21-27-19-24(42-4)11-13-25(27)31-30(22-8-6-5-7-9-22)26-12-10-23-18-29(26)37(31)20-28(21)33(39)35(2)14-16-43-17-15-36(3)44(40,41)34-32(23)38/h10-13,18-19,22H,5-9,14-17,20H2,1-4H3,(H,34,38)
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Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243461
PNG
(US9427440, 13)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NC\C=C\CN(C)S(=O)(=O)NC5=O |c:25,t:35|
Show InChI InChI=1S/C31H34N4O5S/c1-34-15-7-6-14-32-30(36)23-16-22-17-24(40-2)11-13-25(22)29-28(20-8-4-3-5-9-20)26-12-10-21(18-27(26)35(29)19-23)31(37)33-41(34,38)39/h6-7,10-13,16-18,20H,3-5,8-9,14-15,19H2,1-2H3,(H,32,36)(H,33,37)/b7-6+
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n/an/a 190n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243457
PNG
(US9427440, 11)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O |(8.09,-.74,;7,-1.83,;5.51,-1.43,;4.5,-2.59,;2.99,-2.3,;2.49,-.84,;.95,-.84,;.05,-2.09,;.44,-3.57,;-.64,-4.66,;-.25,-6.15,;1.24,-6.55,;2.33,-5.46,;1.93,-3.97,;-1.42,-1.61,;-2.75,-2.38,;-4.09,-1.61,;-4.09,-.07,;-2.75,.7,;-1.42,-.07,;.05,.41,;.46,1.96,;1.87,2.57,;3.23,3.52,;3.23,1.84,;3.5,.32,;5.01,.02,;.78,3.65,;-.71,3.26,;1.25,4.55,;-.09,5.32,;-1.42,4.55,;-2.75,5.32,;-1.21,5.32,;.25,6.55,;-4.09,4.55,;-5.42,5.32,;-6.75,4.55,;-8.09,5.32,;-6.75,3.01,;-8.09,2.24,;-5.42,3.78,;-5.42,2.24,;-5.42,.7,;-6.75,-.07,)|
Show InChI InChI=1S/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)
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n/an/a 220n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243456
PNG
(US9427440, 1)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25|
Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)
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n/an/a 240n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243460
PNG
(US9427440, 10)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCCCCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1S/C32H38N4O5S/c1-35-15-7-6-14-33-31(38)32-18-26(32)25-17-22(41-2)11-13-23(25)29-28(20-8-4-3-5-9-20)24-12-10-21(16-27(24)36(29)19-32)30(37)34-42(35,39)40/h10-13,16-17,20,26H,3-9,14-15,18-19H2,1-2H3,(H,33,38)(H,34,37)
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Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243458
PNG
(US9427440, 5)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NCCN1CCN(CC1)S(=O)(=O)NC5=O |c:25,(8.09,-.48,;7,-1.57,;5.51,-1.17,;4.5,-2.33,;2.99,-2.03,;2.49,-.57,;.95,-.57,;.05,-1.82,;.44,-3.31,;-.64,-4.4,;-.25,-5.88,;1.24,-6.28,;2.33,-5.19,;1.93,-3.71,;-1.42,-1.34,;-2.75,-2.11,;-4.09,-1.34,;-4.09,.2,;-2.75,.97,;-1.42,.2,;.05,.67,;.46,2.22,;1.87,2.83,;3.23,2.1,;3.5,.59,;5.01,.29,;.78,3.92,;-.71,3.52,;1.25,4.82,;-.09,5.59,;-1.42,4.82,;-2.75,5.59,;-4.09,4.82,;-5.42,5.59,;-6.75,4.82,;-5.31,6.28,;-4.29,5.59,;-6.75,3.28,;-8.09,2.51,;-5.42,4.05,;-5.42,2.51,;-5.42,.97,;-6.75,.2,)|
Show InChI InChI=1S/C32H37N5O5S/c1-42-25-8-10-26-23(18-25)17-24-20-37-28-19-22(7-9-27(28)29(30(26)37)21-5-3-2-4-6-21)32(39)34-43(40,41)36-15-13-35(14-16-36)12-11-33-31(24)38/h7-10,17-19,21H,2-6,11-16,20H2,1H3,(H,33,38)(H,34,39)
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Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243455
PNG
(US9427440, 2)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O
Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)
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n/an/a 410n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243462
PNG
(US9427440, 3)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3C[C@@H](Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |r|
Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)/t24-/m1/s1
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Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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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n/an/a 930n/an/an/an/a7.325



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 ...


US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
BDBM243459
PNG
(US9427440, 12)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)NCC\C=C\CN(C)S(=O)(=O)NC5=O |t:38|
Show InChI InChI=1S/C33H38N4O5S/c1-36-16-8-4-7-15-34-32(39)33-19-27(33)26-18-23(42-2)12-14-24(26)30-29(21-9-5-3-6-10-21)25-13-11-22(17-28(25)37(30)20-33)31(38)35-43(36,40)41/h4,8,11-14,17-18,21,27H,3,5-7,9-10,15-16,19-20H2,1-2H3,(H,34,39)(H,35,38)/b8-4+
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n/an/a 930n/an/an/an/a7.525



Janssen Sciences Ireland UC

US Patent


Assay Description
Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.325



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 ...


US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM246468
PNG
(US9447132, Formula IV)
Show SMILES C[C@@]1(O)[C@H](O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC1n1ccc(=O)[nH]c1=O |r|
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n/an/a 1.40E+3n/an/an/an/a7.5n/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
NS5B RNA polymerase reactions for IC50 determination were performed in 96-well microtiter plates in 20 μL reactions containing assay buffer (50 ...


US Patent US9447132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X2V
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM64587
PNG
(US9447132, GS-7977 | sofosbuvir)
Show SMILES CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccccc1
PDB

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US Patent
n/an/a 2.10E+3n/an/an/an/a7.5n/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
NS5B RNA polymerase reactions for IC50 determination were performed in 96-well microtiter plates in 20 μL reactions containing assay buffer (50 ...


US Patent US9447132 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X2V
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM243463
PNG
(US9427440, 4)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3C[C@H](Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |r|
Show InChI InChI=1S/C32H40N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,18-19,21,24H,4-8,13-17,20H2,1-3H3,(H,33,37)/t24-/m0/s1
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n/an/a 2.42E+3n/an/an/an/an/a25



Janssen Sciences Ireland UC

US Patent


Assay Description
IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...


US Patent US9427440 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43Z6
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.325



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 ...


US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM241872
PNG
(US9416154, 15)
Show SMILES CC(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(F)[C@@H]1O |r|
Show InChI InChI=1S/C13H20FN4O12P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(19)13(2,14)12(27-8)18-4-3-7-10(15)16-5-17-11(7)18/h3-6,8-9,12,19H,1-2H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/t6?,8-,9-,12-,13-/m1/s1
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n/an/a>2.00E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...


US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM241899
PNG
(US9416154, 37)
Show SMILES C[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21N4O13P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17/h3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t6-,8+,9+,12+,13+/m0/s1
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n/an/a 4.00E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...


US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.325



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 ...


US Patent US9457039 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6XCW
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM241898
PNG
(US9416154, 36)
Show SMILES C[C@@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](n2ccc3c(N)ncnc23)[C@](C)(O)[C@@H]1O |r|
Show InChI InChI=1S/C13H21N4O13P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)13(2,19)12(27-8)17-4-3-7-10(14)15-5-16-11(7)17/h3-6,8-9,12,18-19H,1-2H3,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t6-,8-,9-,12-,13-/m1/s1
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n/an/a 6.50E+4n/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in...


US Patent US9416154 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99PV
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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n/an/an/an/a>1.00E+5n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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n/an/an/an/a>1.00E+5n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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>1.00E+5n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM240842
PNG
(US9394331, 44)
Show SMILES OCC1OC(n2ccc(=O)[nH]c2=O)[C@@]2(CCCO2)C1O |r|
PDB

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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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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n/an/an/an/a>1.00E+5n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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
PDB

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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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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n/an/an/an/a 2.06E+4n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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n/an/an/an/a 2.85E+4n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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n/an/an/an/a 2.83E+4n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
PDB

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n/an/an/an/a 1.67E+4n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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 390n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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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n/an/an/an/a 857n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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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n/an/an/an/a 310n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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 566n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
Genome polyprotein [2420-3010]


(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 |r|
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 274n/an/a7.527



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...


US Patent US9394331 (2016)


BindingDB Entry DOI: 10.7270/Q2W094TH
More data for this
Ligand-Target Pair
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