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Compile Data Set for Download or QSAR

Found 435 hits of ic50 for UniProtKB: P26662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208164
PNG
(US9265773, 107 | US9265773, 108)
Show SMILES CCNC(=O)C1Oc2ccc(nc2-c2cc3c(F)cccc3n12)-c1cc2c(C(=O)NC)c(oc2cc1N(C)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C35H29F2N5O6S/c1-5-39-34(44)35-42-25-8-6-7-23(37)20(25)16-27(42)31-28(48-35)14-13-24(40-31)21-15-22-29(17-26(21)41(3)49(4,45)46)47-32(30(22)33(43)38-2)18-9-11-19(36)12-10-18/h6-17,35H,5H2,1-4H3,(H,38,43)(H,39,44)
PDB

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UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208184
PNG
(US9265773, 128)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CNS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29F2N5O7S2/c1-37-34(42)31-22-14-21(26(40(2)50(4,45)46)16-29(22)48-33(31)18-8-10-19(35)11-9-18)24-12-13-28-32(39-24)27-15-20-23(36)6-5-7-25(20)41(27)30(47-28)17-38-49(3,43)44/h5-16,30,38H,17H2,1-4H3,(H,37,42)
PDB

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US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208146
PNG
(US9265773, 89 | US9265773, 90)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(F)cccc4n3C(CO)Oc2cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F2N4O6S/c1-36-33(41)31-22-11-20(26(38(2)46(3,42)43)14-28(22)45-32(31)17-7-9-18(34)10-8-17)24-12-21-27-13-19-23(35)5-4-6-25(19)39(27)30(16-40)44-29(21)15-37-24/h4-15,30,40H,16H2,1-3H3,(H,36,41)
PDB

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UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208162
PNG
(US9265773, 105 | US9265773, 106)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(C(N)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H25F2N5O6S/c1-37-32(42)28-20-13-19(24(39(2)47(3,43)44)15-27(20)45-30(28)16-7-9-17(34)10-8-16)22-11-12-26-29(38-22)25-14-18-21(35)5-4-6-23(18)40(25)33(46-26)31(36)41/h4-15,33H,1-3H3,(H2,36,41)(H,37,42)
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208219
PNG
(US9265773, 164)
Show SMILES CNC(=O)c1c(oc2cc(c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-n1cn[nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H20F2N6O4/c1-35-31(41)28-20-11-19(22-9-10-26-29(37-22)25-12-18-21(34)3-2-4-23(18)40(25)15-43-26)24(39-14-36-38-32(39)42)13-27(20)44-30(28)16-5-7-17(33)8-6-16/h2-14H,15H2,1H3,(H,35,41)(H,38,42)
PDB

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n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208090
PNG
(US9265773, 33)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H23FN6O5S/c1-35-31(40)28-22-11-21(25(38(2)45(3,41)42)13-27(22)44-30(28)17-7-9-19(33)10-8-17)23-15-36-32-29(37-23)26-12-20-18(14-34)5-4-6-24(20)39(26)16-43-32/h4-13,15H,16H2,1-3H3,(H,35,40)
PDB

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UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208083
PNG
(US9265773, 26)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H23FN6O5S/c1-35-32(40)28-22-11-21(24(38(2)45(3,41)42)13-26(22)44-30(28)17-7-9-19(33)10-8-17)31-36-15-27-29(37-31)25-12-20-18(14-34)5-4-6-23(20)39(25)16-43-27/h4-13,15H,16H2,1-3H3,(H,35,40)
PDB

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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208080
PNG
(US9265773, 23)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(cccc4n3COc2cn1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C33H24FN5O5S/c1-36-33(40)31-24-11-22(27(38(2)45(3,41)42)14-29(24)44-32(31)18-7-9-20(34)10-8-18)25-12-23-28-13-21-19(15-35)5-4-6-26(21)39(28)17-43-30(23)16-37-25/h4-14,16H,17H2,1-3H3,(H,36,40)
PDB

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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208061
PNG
(US9265773, 4)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24FN5O5S/c1-33-31(38)27-21-13-20(23(36(2)43(3,39)40)14-25(21)42-29(27)17-8-10-19(32)11-9-17)30-34-15-26-28(35-30)24-12-18-6-4-5-7-22(18)37(24)16-41-26/h4-15H,16H2,1-3H3,(H,33,38)
PDB

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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208180
PNG
(US9265773, 124 | US9265773, 126)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CNC(=O)[C@@H]3CCCN3C(=O)OC)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C40H36F2N6O8S/c1-43-39(50)35-25-17-24(30(46(2)57(4,52)53)19-33(25)56-37(35)21-10-12-22(41)13-11-21)27-14-15-32-36(45-27)31-18-23-26(42)7-5-8-28(23)48(31)34(55-32)20-44-38(49)29-9-6-16-47(29)40(51)54-3/h5,7-8,10-15,17-19,29,34H,6,9,16,20H2,1-4H3,(H,43,50)(H,44,49)/t29-,34?/m0/s1
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204545
PNG
(US9242998, 24)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C34H27F4N5O7S/c1-39-33(45)30-20-11-19(22-8-9-26-31(41-22)25-12-18-21(35)5-4-6-23(18)43(25)29(15-44)49-26)24(42(2)51(3,46)47)13-27(20)50-32(30)17-7-10-28(40-14-17)48-16-34(36,37)38/h4-14,29,44H,15-16H2,1-3H3,(H,39,45)
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9242998 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6C2S
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208064
PNG
(US9265773, 7)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCCn3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN5O5S/c1-34-32(39)28-22-15-21(24(37(2)44(3,40)41)16-26(22)43-30(28)18-8-10-20(33)11-9-18)31-35-17-27-29(36-31)25-14-19-6-4-5-7-23(19)38(25)12-13-42-27/h4-11,14-17H,12-13H2,1-3H3,(H,34,39)
PDB

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US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208181
PNG
(US9265773, 125 | US9265773, 127)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CNC(=O)[C@@H](NC(=O)OC)C(C)C)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C40H38F2N6O8S/c1-20(2)35(46-40(51)54-5)39(50)44-19-33-48-28-9-7-8-26(42)23(28)17-30(48)36-31(55-33)15-14-27(45-36)24-16-25-32(18-29(24)47(4)57(6,52)53)56-37(34(25)38(49)43-3)21-10-12-22(41)13-11-21/h7-18,20,33,35H,19H2,1-6H3,(H,43,49)(H,44,50)(H,46,51)/t33?,35-/m0/s1
PDB

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US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208248
PNG
(US9265773, 193)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F3N5O5S/c1-36-32(41)28-21-12-20(31-37-15-27-29(38-31)25-13-19-22(35)4-3-5-23(19)39(25)16-44-27)24(40(11-10-33)46(2,42)43)14-26(21)45-30(28)17-6-8-18(34)9-7-17/h3-9,12-15H,10-11,16H2,1-2H3,(H,36,41)
PDB

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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208106
PNG
(US9265773, 49)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4cccnc34)-c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25FN4O5S/c1-34-32(38)29-24-15-22(19-8-11-27-23(13-19)26-14-20-5-4-12-35-31(20)37(26)17-41-27)25(36(2)43(3,39)40)16-28(24)42-30(29)18-6-9-21(33)10-7-18/h4-16H,17H2,1-3H3,(H,34,38)
PDB

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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208069
PNG
(US9265773, 12)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H24FN5O5S/c1-36-33(40)30-23-13-22(26(38(2)45(3,41)42)15-29(23)44-32(30)18-7-9-20(34)10-8-18)24-11-12-28-31(37-24)27-14-21-19(16-35)5-4-6-25(21)39(27)17-43-28/h4-15H,17H2,1-3H3,(H,36,40)
PDB

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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204721
PNG
(US9243002, 58 | US9243002, 59)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C35H29F3N4O6S2/c1-39-35(43)32-24-14-23(29(41(2)50(4,46)47)16-31(24)48-34(32)21-10-9-19(36)13-26(21)38)27-11-8-18-12-20(17-49(3,44)45)42-28-7-5-6-25(37)22(28)15-30(42)33(18)40-27/h5-11,13-16,20H,12,17H2,1-4H3,(H,39,43)
PDB

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US Patent
n/an/a 1.71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204534
PNG
(US9242998, 12)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C33H25F4N5O6S/c1-38-32(43)29-20-11-19(22-8-9-26-30(40-22)25-12-18-21(34)5-4-6-23(18)42(25)16-47-26)24(41(2)49(3,44)45)13-27(20)48-31(29)17-7-10-28(39-14-17)46-15-33(35,36)37/h4-14H,15-16H2,1-3H3,(H,38,43)
PDB

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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9242998 (2016)


BindingDB Entry DOI: 10.7270/Q2SX6C2S
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208104
PNG
(US9265773, 47)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(nccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H23FN6O5S/c1-35-32(40)29-21-12-19(25(38(2)45(3,41)42)14-28(21)44-31(29)17-4-6-18(33)7-5-17)22-8-9-27-30(37-22)26-13-20-23(15-34)36-11-10-24(20)39(26)16-43-27/h4-14H,16H2,1-3H3,(H,35,40)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208096
PNG
(US9265773, 39)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCCCn3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28FN5O5S/c1-35-33(40)29-23-16-22(25(38(2)45(3,41)42)17-27(23)44-31(29)19-9-11-21(34)12-10-19)32-36-18-28-30(37-32)26-15-20-7-4-5-8-24(20)39(26)13-6-14-43-28/h4-5,7-12,15-18H,6,13-14H2,1-3H3,(H,35,40)
PDB

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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208082
PNG
(US9265773, 25)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-30(39)27-20-11-19(24(37(2)44(3,40)41)13-26(20)43-29(27)16-7-9-17(32)10-8-16)22-14-35-31-28(36-22)25-12-18-21(33)5-4-6-23(18)38(25)15-42-31/h4-14H,15H2,1-3H3,(H,34,39)
PDB

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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208068
PNG
(US9265773, 11)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4ccccc4n3COc2cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25FN4O5S/c1-34-32(38)30-23-13-21(24-14-22-27-12-19-6-4-5-7-25(19)37(27)17-41-29(22)16-35-24)26(36(2)43(3,39)40)15-28(23)42-31(30)18-8-10-20(33)11-9-18/h4-16H,17H2,1-3H3,(H,34,38)
PDB

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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204715
PNG
(US9243002, 55)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F2N4O5S/c1-36-33(41)30-22-13-21(26(38(2)45(3,42)43)15-29(22)44-32(30)17-7-9-18(34)10-8-17)24-12-11-19-28(16-40)39-25-6-4-5-23(35)20(25)14-27(39)31(19)37-24/h4-15,28,40H,16H2,1-3H3,(H,36,41)
PDB

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n/an/a 1.81n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204669
PNG
(US9243002, 44)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O4S/c1-35-32(40)29-21-13-20(26(38(2)44(3,41)42)15-28(21)43-31(29)17-7-9-18(33)10-8-17)24-16-36-23-11-12-39-25-6-4-5-22(34)19(25)14-27(39)30(23)37-24/h4-10,13-16H,11-12H2,1-3H3,(H,35,40)
PDB

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n/an/a 1.87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208194
PNG
(US9265773, 139)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(nc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)26-19-13-18(23(37(2)44(3,40)41)14-25(19)43-29(26)16-7-9-17(32)10-8-16)21-11-12-24-28(35-21)30-36-27-20(33)5-4-6-22(27)38(30)15-42-24/h4-14H,15H2,1-3H3,(H,34,39)
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208079
PNG
(US9265773, 22)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4ccc(cc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H24FN5O5S/c1-36-33(40)30-23-14-22(26(38(2)45(3,41)42)15-29(23)44-32(30)19-6-8-21(34)9-7-19)24-10-11-28-31(37-24)27-13-20-5-4-18(16-35)12-25(20)39(27)17-43-28/h4-15H,17H2,1-3H3,(H,36,40)
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208199
PNG
(US9265773, 144 | US9265773, 145)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCc3c(nc4ccccn34)-c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24FN5O5S/c1-33-30(38)27-21-13-20(18-12-22-28-24(16-41-31(22)34-15-18)37-11-5-4-6-26(37)35-28)23(36(2)43(3,39)40)14-25(21)42-29(27)17-7-9-19(32)10-8-17/h4-15H,16H2,1-3H3,(H,33,38)
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208066
PNG
(US9265773, 9)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OC(C)n3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN5O5S/c1-17-38-23-8-6-5-7-19(23)13-25(38)29-27(42-17)16-35-31(36-29)21-14-22-26(15-24(21)37(3)44(4,40)41)43-30(28(22)32(39)34-2)18-9-11-20(33)12-10-18/h5-17H,1-4H3,(H,34,39)
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204716
PNG
(US9243002, 56 | US9243002, 57)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CS(C)(=O)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H30F2N4O6S2/c1-38-35(42)32-25-15-24(29(40(2)49(4,45)46)17-31(25)47-34(32)19-8-11-21(36)12-9-19)27-13-10-20-14-22(18-48(3,43)44)41-28-7-5-6-26(37)23(28)16-30(41)33(20)39-27/h5-13,15-17,22H,14,18H2,1-4H3,(H,38,42)
PDB

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n/an/a 2.00n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208062
PNG
(US9265773, 5)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)27-20-11-19(23(37(2)44(3,40)41)13-25(20)43-29(27)16-7-9-17(32)10-8-16)30-35-14-26-28(36-30)24-12-18-21(33)5-4-6-22(18)38(24)15-42-26/h4-14H,15H2,1-3H3,(H,34,39)
PDB

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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208177
PNG
(US9265773, 120)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CNCCOC)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H33F2N5O6S/c1-39-36(44)33-24-16-23(28(42(2)50(4,45)46)18-31(24)49-35(33)20-8-10-21(37)11-9-20)26-12-13-30-34(41-26)29-17-22-25(38)6-5-7-27(22)43(29)32(48-30)19-40-14-15-47-3/h5-13,16-18,32,40H,14-15,19H2,1-4H3,(H,39,44)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208166
PNG
(US9265773, 109 | US9265773, 110)
Show SMILES CNC(=O)C1Oc2ccc(nc2-c2cc3c(F)cccc3n12)-c1cc2c(C(=O)NC)c(oc2cc1N(C)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C34H27F2N5O6S/c1-37-32(42)29-21-14-20(25(40(3)48(4,44)45)16-28(21)46-31(29)17-8-10-18(35)11-9-17)23-12-13-27-30(39-23)26-15-19-22(36)6-5-7-24(19)41(26)34(47-27)33(43)38-2/h5-16,34H,1-4H3,(H,37,42)(H,38,43)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208262
PNG
(US9265773, 207)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(c(C(O)C(O)=O)c4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H26F2N4O8S/c1-37-33(42)26-19-13-18(23(39(2)49(3,45)46)14-25(19)48-32(26)16-7-9-17(35)10-8-16)21-11-12-24-29(38-21)30-28(31(41)34(43)44)27-20(36)5-4-6-22(27)40(30)15-47-24/h4-14,31,41H,15H2,1-3H3,(H,37,42)(H,43,44)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208228
PNG
(US9265773, 173)
Show SMILES CNC(=O)c1c(oc2cc(N3CCOC3=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H21F2N5O5/c1-35-31(40)27-20-11-19(23(38-9-10-42-32(38)41)13-25(20)44-29(27)16-5-7-17(33)8-6-16)30-36-14-26-28(37-30)24-12-18-21(34)3-2-4-22(18)39(24)15-43-26/h2-8,11-14H,9-10,15H2,1H3,(H,35,40)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208227
PNG
(US9265773, 172)
Show SMILES CNC(=O)c1c(oc2cc(N3CCOC3=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H22F2N4O5/c1-36-32(40)29-21-13-20(23-9-10-27-30(37-23)26-14-19-22(35)3-2-4-24(19)39(26)16-43-27)25(38-11-12-42-33(38)41)15-28(21)44-31(29)17-5-7-18(34)8-6-17/h2-10,13-15H,11-12,16H2,1H3,(H,36,40)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208065
PNG
(US9265773, 8)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O5S/c1-35-32(40)28-21-13-20(24(38(2)45(3,41)42)15-26(21)44-30(28)17-7-9-18(33)10-8-17)31-36-16-27-29(37-31)25-14-19-22(34)5-4-6-23(19)39(25)11-12-43-27/h4-10,13-16H,11-12H2,1-3H3,(H,35,40)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208103
PNG
(US9265773, 46)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cncc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)28-20-10-19(23(37(2)44(3,40)41)12-27(20)43-30(28)16-4-6-17(32)7-5-16)22-8-9-26-29(36-22)24-11-18-21(33)13-35-14-25(18)38(24)15-42-26/h4-14H,15H2,1-3H3,(H,34,39)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208185
PNG
(US9265773, 129 | US9265773, 130)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(CNC(C)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H29F2N5O6S/c1-18(43)39-17-31-42-26-7-5-6-24(37)21(26)15-28(42)33-29(47-31)13-12-25(40-33)22-14-23-30(16-27(22)41(3)49(4,45)46)48-34(32(23)35(44)38-2)19-8-10-20(36)11-9-19/h5-16,31H,17H2,1-4H3,(H,38,44)(H,39,43)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208087
PNG
(US9265773, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)c(F)ccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)26-19-10-18(22(38(2)45(3,41)42)12-24(19)44-29(26)15-4-6-16(32)7-5-15)30-36-13-25-28(37-30)23-11-17-21(39(23)14-43-25)9-8-20(33)27(17)34/h4-13H,14H2,1-3H3,(H,35,40)
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208070
PNG
(US9265773, 13)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4cc(ccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H24FN5O5S/c1-36-33(40)30-23-14-22(26(38(2)45(3,41)42)15-29(23)44-32(30)19-5-7-21(34)8-6-19)24-9-11-28-31(37-24)27-13-20-12-18(16-35)4-10-25(20)39(27)17-43-28/h4-15H,17H2,1-3H3,(H,36,40)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208246
PNG
(US9265773, 191)
Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H25F2N5O5S/c1-38-34(42)31-24-14-23(25-10-11-29-32(39-25)28-15-22-20(17-37)4-3-5-26(22)40(28)18-45-29)27(41(13-12-35)47(2,43)44)16-30(24)46-33(31)19-6-8-21(36)9-7-19/h3-11,14-16H,12-13,18H2,1-2H3,(H,38,42)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208204
PNG
(US9265773, 149)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)27-19-10-18(23(38(2)45(3,41)42)12-25(19)44-29(27)16-8-7-15(32)9-21(16)34)30-36-13-26-28(37-30)24-11-17-20(33)5-4-6-22(17)39(24)14-43-26/h4-13H,14H2,1-3H3,(H,35,40)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208209
PNG
(US9265773, 154)
Show SMILES CN(c1cc2oc(c(C(N)=O)c2cc1-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H22F2N4O5S/c1-36(43(2,39)40)24-14-27-20(28(31(34)38)30(42-27)16-6-8-17(32)9-7-16)12-19(24)22-10-11-26-29(35-22)25-13-18-21(33)4-3-5-23(18)37(25)15-41-26/h3-14H,15H2,1-2H3,(H2,34,38)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208097
PNG
(US9265773, 40)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCCCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-36-33(41)29-22-14-21(25(39(2)46(3,42)43)16-27(22)45-31(29)18-8-10-19(34)11-9-18)32-37-17-28-30(38-32)26-15-20-23(35)6-4-7-24(20)40(26)12-5-13-44-28/h4,6-11,14-17H,5,12-13H2,1-3H3,(H,36,41)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208218
PNG
(US9265773, 163)
Show SMILES CNC(=O)c1c(oc2cc(N)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H20F2N4O3/c1-34-30(37)27-19-11-18(21(33)13-26(19)39-29(27)15-5-7-16(31)8-6-15)22-9-10-25-28(35-22)24-12-17-20(32)3-2-4-23(17)36(24)14-38-25/h2-13H,14,33H2,1H3,(H,34,37)
PDB

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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204712
PNG
(US9243002, 52 | US9243002, 53 | US9243002, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O5S/c1-37-34(42)31-24-14-23(28(39(2)46(3,43)44)16-30(24)45-33(31)18-7-10-20(35)11-8-18)26-12-9-19-13-21(17-41)40-27-6-4-5-25(36)22(27)15-29(40)32(19)38-26/h4-12,14-16,21,41H,13,17H2,1-3H3,(H,37,42)
PDB

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n/an/a 2.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM204586
PNG
(US9243002, 5)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(OC2CC2)nc1
Show InChI InChI=1S/C35H30FN5O5S/c1-37-35(42)32-24-15-23(26-11-7-19-13-14-41-27-6-4-5-25(36)22(27)16-29(41)33(19)39-26)28(40(2)47(3,43)44)17-30(24)46-34(32)20-8-12-31(38-18-20)45-21-9-10-21/h4-8,11-12,15-18,21H,9-10,13-14H2,1-3H3,(H,37,42)
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...


US Patent US9243002 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208073
PNG
(US9265773, 16)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(F)cccc4n3COc2cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F2N4O5S/c1-35-32(39)30-22-11-20(26(37(2)44(3,40)41)14-28(22)43-31(30)17-7-9-18(33)10-8-17)24-12-21-27-13-19-23(34)5-4-6-25(19)38(27)16-42-29(21)15-36-24/h4-15H,16H2,1-3H3,(H,35,39)
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208249
PNG
(US9265773, 194)
Show SMILES CNC(=O)c1c(oc2cc(N(CCCF)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H27F2N5O5S/c1-39-35(43)32-25-15-24(26-11-12-30-33(40-26)29-16-23-21(18-38)5-3-6-27(23)41(29)19-46-30)28(42(14-4-13-36)48(2,44)45)17-31(25)47-34(32)20-7-9-22(37)10-8-20/h3,5-12,15-17H,4,13-14,19H2,1-2H3,(H,39,43)
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM208063
PNG
(US9265773, 6)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4cc(F)ccc34)-c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)27-21-12-20(23(37(2)44(3,40)41)13-25(21)43-29(27)16-4-6-18(32)7-5-16)30-35-14-26-28(36-30)24-11-17-10-19(33)8-9-22(17)38(24)15-42-26/h4-14H,15H2,1-3H3,(H,34,39)
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD Italia S.R.L.

US Patent


Assay Description
Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...


US Patent US9265773 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10H7
More data for this
Ligand-Target Pair
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