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Compile Data Set for Download or QSAR

Found 368 hits Enz. Inhib. hit(s) with Target = 'NS3 serine protease (NS3)' AND taxid = 11116   
Target
(Institution)
LigandTarget
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
NS3 serine protease (NS3)


(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=1/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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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
Show InChI InChI=1/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?/s2
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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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
Show InChI InChI=1/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-/s2
PDB

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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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=1/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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
NS3 serine protease (NS3)


(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)
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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)

More data for this
Ligand-Target Pair
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