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Compile Data Set for Download or QSAR

Found 134 hits of ic50 data for polymerid = 10170,9837   
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
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235861
PNG
(US9364482, 36)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28F2N4O5S/c1-36-32(40)29-25-16-24(27(38(2)45(3,42)43)17-28(25)44-31(29)21-6-11-23(35)12-7-21)26-13-8-20-14-15-39(33(41)30(20)37-26)18-19-4-9-22(34)10-5-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,36,40)
PDB

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UniChem
US Patent
n/an/a 0.527n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235836
PNG
(US9364482, 10)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(Cl)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26ClFN4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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US Patent
n/an/a 0.768n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
PDB

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US Patent
n/an/a 0.782n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235855
PNG
(US9364482, 29)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O5S/c1-35-31(39)28-24-14-23(25-13-8-20-17-38(32(40)29(20)36-25)16-18-4-9-21(33)10-5-18)26(37(2)44(3,41)42)15-27(24)43-30(28)19-6-11-22(34)12-7-19/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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n/an/a 0.886n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235856
PNG
(US9364482, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(C)c3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C33H28F2N4O6S/c1-18(19-5-9-21(34)10-6-19)39-17-44-27-14-13-25(37-30(27)33(39)41)23-15-24-28(16-26(23)38(3)46(4,42)43)45-31(29(24)32(40)36-2)20-7-11-22(35)12-8-20/h5-16,18H,17H2,1-4H3,(H,36,40)
PDB

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US Patent
n/an/a 0.981n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235833
PNG
(US9364482, 7)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3cccc(F)c3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-7-9-20(33)10-8-19)24-11-12-26-29(36-24)32(40)38(17-43-26)16-18-5-4-6-21(34)13-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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UniChem
US Patent
n/an/a 1.06n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235861
PNG
(US9364482, 36)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28F2N4O5S/c1-36-32(40)29-25-16-24(27(38(2)45(3,42)43)17-28(25)44-31(29)21-6-11-23(35)12-7-21)26-13-8-20-14-15-39(33(41)30(20)37-26)18-19-4-9-22(34)10-5-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,36,40)
PDB

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US Patent
n/an/a 1.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235863
PNG
(US9364482, 38)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H27F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-18H,19H2,1-3H3,(H,37,40)
PDB

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US Patent
n/an/a 1.14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235863
PNG
(US9364482, 38)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H27F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-18H,19H2,1-3H3,(H,37,40)
PDB

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UniChem
US Patent
n/an/a 1.38n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235833
PNG
(US9364482, 7)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3cccc(F)c3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-7-9-20(33)10-8-19)24-11-12-26-29(36-24)32(40)38(17-43-26)16-18-5-4-6-21(34)13-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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UniChem
US Patent
n/an/a 1.48n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235831
PNG
(US9364482, 5)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(OC)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FN4O7S/c1-35-32(39)29-24-15-23(26(37(2)46(4,41)42)16-28(24)45-31(29)20-7-9-21(34)10-8-20)25-13-14-27-30(36-25)33(40)38(18-44-27)17-19-5-11-22(43-3)12-6-19/h5-16H,17-18H2,1-4H3,(H,35,39)
PDB

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US Patent
n/an/a 1.59n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235845
PNG
(US9364482, 19)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2NCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F2N5O5S/c1-35-31(40)28-24-13-23(26(38(2)45(3,42)43)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-30(36-15-20)37-17-39(32(25)41)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,40)(H,36,37)
PDB

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



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235860
PNG
(US9364482, 35)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-13,16-18H,14-15,19H2,1-3H3,(H,37,40)
PDB

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PC sid
UniChem
US Patent
n/an/a 1.71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235845
PNG
(US9364482, 19)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2NCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27F2N5O5S/c1-35-31(40)28-24-13-23(26(38(2)45(3,42)43)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-30(36-15-20)37-17-39(32(25)41)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,40)(H,36,37)
PDB

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PC sid
UniChem
US Patent
n/an/a 1.75n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235836
PNG
(US9364482, 10)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(Cl)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26ClFN4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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UniChem
US Patent
n/an/a 1.79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235832
PNG
(US9364482, 6)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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UniChem
US Patent
n/an/a 1.93n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235880
PNG
(US9364482, 55)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O5S/c1-19-38-28-14-9-22(15-26(28)34(42)40(19)18-20-5-10-23(35)11-6-20)25-16-27-30(17-29(25)39(3)46(4,43)44)45-32(31(27)33(41)37-2)21-7-12-24(36)13-8-21/h5-17H,18H2,1-4H3,(H,37,41)
PDB

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UniChem
US Patent
n/an/a 1.93n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235887
PNG
(US9364482, 68)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-37-26-14-13-25(38-30(26)33(42)40(18)17-19-5-9-21(34)10-6-19)23-15-24-28(16-27(23)39(3)46(4,43)44)45-31(29(24)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
PDB

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PC sid
UniChem
US Patent
n/an/a 2.00n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235839
PNG
(US9364482, 13)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-30(39)28-24-13-23(26(37(2)45(3,41)42)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-31(36-15-20)43-17-38(32(25)40)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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PC sid
UniChem
US Patent
n/an/a 2.06n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235877
PNG
(US9364482, 52)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccc(F)cn3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O5S/c1-35-31(40)29-25-13-23(27(38(2)45(3,42)43)14-28(25)44-30(29)18-4-7-20(33)8-5-18)19-6-11-26-24(12-19)32(41)39(17-37-26)16-22-10-9-21(34)15-36-22/h4-15,17H,16H2,1-3H3,(H,35,40)
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n/an/a 2.11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235860
PNG
(US9364482, 35)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H29F2N3O5S/c1-37-33(40)31-28-17-26(29(38(2)45(3,42)43)18-30(28)44-32(31)22-8-12-25(36)13-9-22)23-7-6-21-14-15-39(34(41)27(21)16-23)19-20-4-10-24(35)11-5-20/h4-13,16-18H,14-15,19H2,1-3H3,(H,37,40)
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n/an/a 2.15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235856
PNG
(US9364482, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(C)c3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C33H28F2N4O6S/c1-18(19-5-9-21(34)10-6-19)39-17-44-27-14-13-25(37-30(27)33(39)41)23-15-24-28(16-26(23)38(3)46(4,42)43)45-31(29(24)32(40)36-2)20-7-11-22(35)12-8-20/h5-16,18H,17H2,1-4H3,(H,36,40)
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n/an/a 2.23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235887
PNG
(US9364482, 68)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O5S/c1-18-37-26-14-13-25(38-30(26)33(42)40(18)17-19-5-9-21(34)10-6-19)23-15-24-28(16-27(23)39(3)46(4,43)44)45-31(29(24)32(41)36-2)20-7-11-22(35)12-8-20/h5-16H,17H2,1-4H3,(H,36,41)
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n/an/a 2.24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
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n/an/a 2.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235876
PNG
(US9364482, 51)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(Cc3ccc(F)cc3OC)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O6S/c1-37-33(41)31-26-15-24(28(39(2)47(4,43)44)16-30(26)46-32(31)19-5-9-22(35)10-6-19)20-8-12-27-25(13-20)34(42)40(18-38-27)17-21-7-11-23(36)14-29(21)45-3/h5-16,18H,17H2,1-4H3,(H,37,41)
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n/an/a 2.35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235880
PNG
(US9364482, 55)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H28F2N4O5S/c1-19-38-28-14-9-22(15-26(28)34(42)40(19)18-20-5-10-23(35)11-6-20)25-16-27-30(17-29(25)39(3)46(4,43)44)45-32(31(27)33(41)37-2)21-7-12-24(36)13-8-21/h5-17H,18H2,1-4H3,(H,37,41)
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n/an/a 2.42n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235827
PNG
(US9364482, 1)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccccc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27FN4O6S/c1-34-31(38)28-23-15-22(24-13-14-26-29(35-24)32(39)37(18-42-26)17-19-7-5-4-6-8-19)25(36(2)44(3,40)41)16-27(23)43-30(28)20-9-11-21(33)12-10-20/h4-16H,17-18H2,1-3H3,(H,34,38)
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n/an/a 2.44n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235878
PNG
(US9364482, 53)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)
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n/an/a 2.45n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235847
PNG
(US9364482, 21)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2ncn(-c3ccccc3F)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-30(39)27-21-13-20(18-12-22-29(35-15-18)36-16-38(31(22)40)24-7-5-4-6-23(24)33)25(37(2)44(3,41)42)14-26(21)43-28(27)17-8-10-19(32)11-9-17/h4-16H,1-3H3,(H,34,39)
PDB

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n/an/a 2.51n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235839
PNG
(US9364482, 13)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCN(Cc3ccc(F)cc3)C(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-30(39)28-24-13-23(26(37(2)45(3,41)42)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-31(36-15-20)43-17-38(32(25)40)16-18-4-8-21(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
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n/an/a 2.55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235878
PNG
(US9364482, 53)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)
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n/an/a 2.57n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235850
PNG
(US9364482, 24)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2ncn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O5S/c1-35-31(40)28-24-13-23(26(38(2)45(3,42)43)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-30(36-15-20)37-17-39(32(25)41)16-18-4-8-21(33)9-5-18/h4-15,17H,16H2,1-3H3,(H,35,40)
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n/an/a 2.57n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235850
PNG
(US9364482, 24)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2ncn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F2N5O5S/c1-35-31(40)28-24-13-23(26(38(2)45(3,42)43)14-27(24)44-29(28)19-6-10-22(34)11-7-19)20-12-25-30(36-15-20)37-17-39(32(25)41)16-18-4-8-21(33)9-5-18/h4-15,17H,16H2,1-3H3,(H,35,40)
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n/an/a 2.59n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235889
PNG
(US9364482, 70)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2c(cc1F)nnn(Cc1ccc(F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F3N5O5S/c1-36-31(41)29-24-13-22(27(39(2)46(3,43)44)15-28(24)45-30(29)18-6-10-20(34)11-7-18)21-12-23-26(14-25(21)35)37-38-40(32(23)42)16-17-4-8-19(33)9-5-17/h4-15H,16H2,1-3H3,(H,36,41)
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n/an/a 2.61n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235834
PNG
(US9364482, 8)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccccc3F)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-22-14-21(25(37(2)45(3,41)42)15-27(22)44-30(28)18-8-10-20(33)11-9-18)24-12-13-26-29(36-24)32(40)38(17-43-26)16-19-6-4-5-7-23(19)34/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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n/an/a 2.62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235879
PNG
(US9364482, 54)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(CNC(C)=O)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H31F2N5O6S/c1-20(44)40-18-32-41-29-14-9-23(15-27(29)36(46)43(32)19-21-5-10-24(37)11-6-21)26-16-28-31(17-30(26)42(3)50(4,47)48)49-34(33(28)35(45)39-2)22-7-12-25(38)13-8-22/h5-17H,18-19H2,1-4H3,(H,39,45)(H,40,44)
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n/an/a 2.73n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235832
PNG
(US9364482, 6)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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n/an/a 2.78n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235846
PNG
(US9364482, 20)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn(-c3ccccc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25FN4O5S/c1-34-31(38)29-25-16-23(20-11-14-26-24(15-20)32(39)37(18-35-26)22-7-5-4-6-8-22)27(36(2)43(3,40)41)17-28(25)42-30(29)19-9-12-21(33)13-10-19/h4-18H,1-3H3,(H,34,38)
PDB

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n/an/a 2.79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235829
PNG
(US9364482, 3)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(=O)c2n1)c1cccc(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-11-12-25-28(35-23)31(39)37(16-42-25)20-6-4-5-19(33)13-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-7-9-18(32)10-8-17/h4-15H,16H2,1-3H3,(H,34,38)
PDB

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n/an/a 2.84n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235884
PNG
(US9364482, 65)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@@H](COC)c3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C35H31F2N5O6S/c1-19-39-27-15-14-26(40-32(27)35(44)42(19)29(18-47-4)20-6-10-22(36)11-7-20)24-16-25-30(17-28(24)41(3)49(5,45)46)48-33(31(25)34(43)38-2)21-8-12-23(37)13-9-21/h6-17,29H,18H2,1-5H3,(H,38,43)/t29-/s2
PDB

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US Patent
n/an/a 2.95n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235838
PNG
(US9364482, 12)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2C(=O)N(Cc3ccc(F)cc3)COc2cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O6S/c1-35-31(39)29-23-12-22(26(37(2)45(3,41)42)14-27(23)44-30(29)19-6-10-21(34)11-7-19)25-13-24-28(15-36-25)43-17-38(32(24)40)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
PDB

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US Patent
n/an/a 2.95n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235831
PNG
(US9364482, 5)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(OC)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FN4O7S/c1-35-32(39)29-24-15-23(26(37(2)46(4,41)42)16-28(24)45-31(29)20-7-9-21(34)10-8-20)25-13-14-27-30(36-25)33(40)38(18-44-27)17-19-5-11-22(43-3)12-6-19/h5-16H,17-18H2,1-4H3,(H,35,39)
PDB

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n/an/a 3.06n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235875
PNG
(US9364482, 50)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn([C@H](C)c3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1/C34H28F2N4O5S/c1-19(20-5-10-23(35)11-6-20)40-18-38-28-14-9-22(15-26(28)34(40)42)25-16-27-30(17-29(25)39(3)46(4,43)44)45-32(31(27)33(41)37-2)21-7-12-24(36)13-8-21/h5-19H,1-4H3,(H,37,41)/t19-/s2
PDB

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n/an/a 3.18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235827
PNG
(US9364482, 1)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccccc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27FN4O6S/c1-34-31(38)28-23-15-22(24-13-14-26-29(35-24)32(39)37(18-42-26)17-19-7-5-4-6-8-19)25(36(2)44(3,40)41)16-27(23)43-30(28)20-9-11-21(33)12-10-20/h4-16H,17-18H2,1-3H3,(H,34,38)
PDB

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n/an/a 3.22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235849
PNG
(US9364482, 23)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2ncn(-c3cccc(F)c3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H23F2N5O5S/c1-34-30(39)27-23-13-22(18-11-24-29(35-15-18)36-16-38(31(24)40)21-6-4-5-20(33)12-21)25(37(2)44(3,41)42)14-26(23)43-28(27)17-7-9-19(32)10-8-17/h4-16H,1-3H3,(H,34,39)
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n/an/a 3.24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235828
PNG
(US9364482, 2)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(=O)c2n1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H24F2N4O6S/c1-34-30(38)27-22-14-21(23-12-13-25-28(35-23)31(39)37(16-42-25)20-10-8-19(33)9-11-20)24(36(2)44(3,40)41)15-26(22)43-29(27)17-4-6-18(32)7-5-17/h4-15H,16H2,1-3H3,(H,34,38)
PDB

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n/an/a 3.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
PDB

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n/an/a 3.49n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235883
PNG
(US9364482, 64)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n(Cc3ccc(F)cc3F)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F3N5O5S/c1-17-38-26-12-11-25(39-30(26)33(43)41(17)16-19-7-10-21(35)13-24(19)36)22-14-23-28(15-27(22)40(3)47(4,44)45)46-31(29(23)32(42)37-2)18-5-8-20(34)9-6-18/h5-15H,16H2,1-4H3,(H,37,42)
PDB

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US Patent
n/an/a 3.63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235844
PNG
(US9364482, 18)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(=O)NC(Nc2n1)c1cccc(F)c1)-c1ccc(F)cc1
Show InChI InChI=1/C31H25F2N5O5S/c1-34-31(40)26-22-14-21(23-12-11-20-29(35-23)36-28(37-30(20)39)17-5-4-6-19(33)13-17)24(38(2)44(3,41)42)15-25(22)43-27(26)16-7-9-18(32)10-8-16/h4-15,28H,1-3H3,(H,34,40)(H,35,36)(H,37,39)
PDB

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US Patent
n/an/a 3.74n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235886
PNG
(US9364482, 67)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(C)n([C@H](COC)c3ccc(F)cc3)c(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C35H31F2N5O6S/c1-19-39-27-15-14-26(40-32(27)35(44)42(19)29(18-47-4)20-6-10-22(36)11-7-20)24-16-25-30(17-28(24)41(3)49(5,45)46)48-33(31(25)34(43)38-2)21-8-12-23(37)13-9-21/h6-17,29H,18H2,1-5H3,(H,38,43)/t29-/s2
PDB

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UniChem
US Patent
n/an/a 3.77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
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