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Patent code US9334279

Compile Data Set for Download or QSAR
Found 129 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229525
PNG
(US9334279, 1001)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29-,31?,34-,38+,39+,46-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229526
PNG
(US9334279, 1002)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29+,31?,34+,38-,39-,46+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229526
PNG
(US9334279, 1002)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29+,31?,34+,38-,39-,46+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229528
PNG
(US9334279, 1004)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-19-32(20-35(51-34)37-23-50-25-65-37)63-33-21-36-39(56)53-45(41(58)54-66(60,61)44(7)16-17-44)22-30(45)11-9-8-10-27(3)18-28(4)38(40(57)55(36)24-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,19-20,23,25-28,30,33,36,38H,8,10,16-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28+,30?,33+,36-,38-,45+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229530
PNG
(US9334279, 1006)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229532
PNG
(US9334279, 1008)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-21-32(22-35(51-34)39-50-18-19-65-39)63-33-23-36-38(56)53-45(41(58)54-66(60,61)44(7)16-17-44)24-30(45)11-9-8-10-27(3)20-28(4)37(40(57)55(36)25-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,18-19,21-22,26-28,30,33,36-37H,8,10,16-17,20,23-25H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28+,30?,33+,36-,37-,45+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229533
PNG
(US9334279, 1009)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccncc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229544
PNG
(US9334279, 1020)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29+,31?,34+,37-,38-,46+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229549
PNG
(US9334279, 1025)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-23-19-36(23,32(49)45-56(51,52)35(5)11-12-35)44-29(47)27-18-25(53-24-10-13-41-26(17-24)30-42-14-15-55-30)20-46(27)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-23,25,27-28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,23?,25-,27+,28+,36-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229555
PNG
(US9334279, 1031 | US9334279, 1062)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229562
PNG
(US9334279, 1038)
Show SMILES CC[C@@H]1OCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C47H57F3N6O11S2/c1-5-37-39(53-43(60)67-45(47(48,49)50)15-9-18-63-26-45)41(58)56-25-33(66-32-20-34(52-35(21-32)38-24-51-27-68-38)29-11-13-31(14-12-29)65-28(2)3)22-36(56)40(57)54-46(23-30(46)10-7-6-8-19-64-37)42(59)55-69(61,62)44(4)16-17-44/h7,10-14,20-21,24,27-28,30,33,36-37,39H,5-6,8-9,15-19,22-23,25-26H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b10-7-/t30?,33-,36+,37+,39+,45?,46-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229563
PNG
(US9334279, 1039)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H50F6N6O9S2/c1-6-33-34(53-39(60)65-40(3,4)44(48,49)50)37(58)56-23-29(64-28-19-30(52-31(20-28)36-51-17-18-66-36)25-11-13-26(14-12-25)43(45,46)47)21-32(56)35(57)54-42(22-27(42)10-8-7-9-24(2)63-33)38(59)55-67(61,62)41(5)15-16-41/h8,10-14,17-20,24,27,29,32-34H,6-7,9,15-16,21-23H2,1-5H3,(H,53,60)(H,54,57)(H,55,59)/b10-8-/t24-,27?,29-,32+,33+,34+,42-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229571
PNG
(US9334279, 1047)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C47H58F3N7O10S2/c1-27(2)65-37-12-11-30(24-52-37)34-20-32(21-35(53-34)40-51-16-18-68-40)66-33-22-36-39(58)55-46(42(60)56-69(62,63)44(5)14-15-44)23-31(46)10-7-6-9-28(3)19-29(4)38(41(59)57(36)25-33)54-43(61)67-45(47(48,49)50)13-8-17-64-26-45/h7,10-12,16,18,20-21,24,27-29,31,33,36,38H,6,8-9,13-15,17,19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t28-,29-,31?,33-,36+,38+,45?,46-/m1/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229573
PNG
(US9334279, 1049)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H52F3N7O9S2/c1-26-8-4-5-10-29-22-43(29,39(57)53-65(59,60)41(3)12-13-41)52-36(55)34-21-31(62-30-19-32(28-9-6-14-48-23-28)50-33(20-30)37-49-15-17-64-37)24-54(34)38(56)35(27(2)18-26)51-40(58)63-42(44(45,46)47)11-7-16-61-25-42/h5-6,9-10,14-15,17,19-20,23,26-27,29,31,34-35H,4,7-8,11-13,16,18,21-22,24-25H2,1-3H3,(H,51,58)(H,52,55)(H,53,57)/b10-5-/t26-,27-,29?,31-,34+,35+,42?,43-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229575
PNG
(US9334279, 1051)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C50H61F3N6O10S/c1-30(2)67-35-16-14-33(15-17-35)39-24-36(25-40(55-39)38-13-8-9-21-54-38)68-37-26-41-43(60)57-49(45(62)58-70(64,65)47(5)19-20-47)27-34(49)12-7-6-11-31(3)23-32(4)42(44(61)59(41)28-37)56-46(63)69-48(50(51,52)53)18-10-22-66-29-48/h7-9,12-17,21,24-25,30-32,34,37,41-42H,6,10-11,18-20,22-23,26-29H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b12-7-/t31-,32-,34?,37-,41+,42+,48?,49-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229575
PNG
(US9334279, 1051)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C50H61F3N6O10S/c1-30(2)67-35-16-14-33(15-17-35)39-24-36(25-40(55-39)38-13-8-9-21-54-38)68-37-26-41-43(60)57-49(45(62)58-70(64,65)47(5)19-20-47)27-34(49)12-7-6-11-31(3)23-32(4)42(44(61)59(41)28-37)56-46(63)69-48(50(51,52)53)18-10-22-66-29-48/h7-9,12-17,21,24-25,30-32,34,37,41-42H,6,10-11,18-20,22-23,26-29H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b12-7-/t31-,32-,34?,37-,41+,42+,48?,49-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229583
PNG
(US9334279, 1059)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccc(C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H53F3N6O8S2/c1-25-11-13-28(14-12-25)32-20-30(21-33(49-32)37-48-17-18-62-37)60-31-22-34-36(54)51-43(39(56)52-63(58,59)42(6)15-16-42)23-29(43)10-8-7-9-26(2)19-27(3)35(38(55)53(34)24-31)50-40(57)61-41(4,5)44(45,46)47/h8,10-14,17-18,20-21,26-27,29,31,34-35H,7,9,15-16,19,22-24H2,1-6H3,(H,50,57)(H,51,54)(H,52,56)/b10-8-/t26-,27-,29?,31-,34+,35+,43-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229583
PNG
(US9334279, 1059)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccc(C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H53F3N6O8S2/c1-25-11-13-28(14-12-25)32-20-30(21-33(49-32)37-48-17-18-62-37)60-31-22-34-36(54)51-43(39(56)52-63(58,59)42(6)15-16-42)23-29(43)10-8-7-9-26(2)19-27(3)35(38(55)53(34)24-31)50-40(57)61-41(4,5)44(45,46)47/h8,10-14,17-18,20-21,26-27,29,31,34-35H,7,9,15-16,19,22-24H2,1-6H3,(H,50,57)(H,51,54)(H,52,56)/b10-8-/t26-,27-,29?,31-,34+,35+,43-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229525
PNG
(US9334279, 1001)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cnccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-14-12-30(13-15-32)35-21-33(22-36(53-35)37-25-51-18-19-52-37)65-34-23-38-40(58)55-46(42(60)56-67(62,63)45(7)16-17-45)24-31(46)11-9-8-10-28(3)20-29(4)39(41(59)57(38)26-34)54-43(61)66-44(5,6)47(48,49)50/h9,11-15,18-19,21-22,25,27-29,31,34,38-39H,8,10,16-17,20,23-24,26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t28-,29-,31?,34-,38+,39+,46-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229527
PNG
(US9334279, 1003)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-19-32(20-35(51-34)37-23-50-25-65-37)63-33-21-36-39(56)53-45(41(58)54-66(60,61)44(7)16-17-44)22-30(45)11-9-8-10-27(3)18-28(4)38(40(57)55(36)24-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,19-20,23,25-28,30,33,36,38H,8,10,16-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28-,30?,33-,36+,38+,45-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229530
PNG
(US9334279, 1006)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229536
PNG
(US9334279, 1012)
Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30+,32?,35+,39-,41-,48+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229537
PNG
(US9334279, 1013)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-n1cccn1
Show InChI InChI=1S/C46H58F3N7O9S/c1-27(2)63-32-15-13-30(14-16-32)35-22-33(24-37(51-35)56-20-10-19-50-56)64-34-23-36-39(57)53-45(41(59)54-66(61,62)44(7)17-18-44)25-31(45)12-9-8-11-28(3)21-29(4)38(40(58)55(36)26-34)52-42(60)65-43(5,6)46(47,48)49/h9-10,12-16,19-20,22,24,27-29,31,34,36,38H,8,11,17-18,21,23,25-26H2,1-7H3,(H,52,60)(H,53,57)(H,54,59)/b12-9-/t28-,29-,31?,34-,36+,38+,45-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229538
PNG
(US9334279, 1014)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-n1cccn1
Show InChI InChI=1S/C46H58F3N7O9S/c1-27(2)63-32-15-13-30(14-16-32)35-22-33(24-37(51-35)56-20-10-19-50-56)64-34-23-36-39(57)53-45(41(59)54-66(61,62)44(7)17-18-44)25-31(45)12-9-8-11-28(3)21-29(4)38(40(58)55(36)26-34)52-42(60)65-43(5,6)46(47,48)49/h9-10,12-16,19-20,22,24,27-29,31,34,36,38H,8,11,17-18,21,23,25-26H2,1-7H3,(H,52,60)(H,53,57)(H,54,59)/b12-9-/t28-,29+,31?,34+,36-,38-,45+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229539
PNG
(US9334279, 1015)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,30+,37-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229541
PNG
(US9334279, 1017)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,40+,46?,47-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229543
PNG
(US9334279, 1019)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29-,31?,34-,37+,38+,46-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229547
PNG
(US9334279, 1023)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23-,24?,26-,29+,30+,39-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229549
PNG
(US9334279, 1025)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-23-19-36(23,32(49)45-56(51,52)35(5)11-12-35)44-29(47)27-18-25(53-24-10-13-41-26(17-24)30-42-14-15-55-30)20-46(27)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-23,25,27-28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,23?,25-,27+,28+,36-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229557
PNG
(US9334279, 1033)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C46H57F3N6O10S2/c1-8-36-38(52-42(59)65-43(5,6)46(47,48)49)40(57)55-24-32(64-31-19-33(51-34(20-31)37-23-50-25-66-37)28-13-15-30(16-14-28)62-26(2)3)21-35(55)39(56)53-45(22-29(45)12-10-9-11-27(4)63-36)41(58)54-67(60,61)44(7)17-18-44/h10,12-16,19-20,23,25-27,29,32,35-36,38H,8-9,11,17-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b12-10-/t27-,29?,32-,35+,36+,38+,45-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229561
PNG
(US9334279, 1037)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccccn1)-c1ccc(OC(C)C)cc1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C50H61F3N6O11S/c1-6-41-42(56-46(63)70-48(50(51,52)53)19-11-23-66-29-48)44(61)59-28-36(69-35-24-38(32-15-17-34(18-16-32)67-30(2)3)55-39(25-35)37-14-9-10-22-54-37)26-40(59)43(60)57-49(27-33(49)13-8-7-12-31(4)68-41)45(62)58-71(64,65)47(5)20-21-47/h8-10,13-18,22,24-25,30-31,33,36,40-42H,6-7,11-12,19-21,23,26-29H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b13-8-/t31-,33?,36-,40+,41+,42+,48?,49-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229568
PNG
(US9334279, 1044)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1ncc(C)s1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H51F3N6O9S2/c1-23-8-5-6-9-26-19-39(26,35(52)48-60(54,55)37(4)12-13-37)47-32(50)30-18-28(57-27-10-14-44-29(17-27)33-45-20-25(3)59-33)21-49(30)34(51)31(24(2)16-23)46-36(53)58-38(40(41,42)43)11-7-15-56-22-38/h6,9-10,14,17,20,23-24,26,28,30-31H,5,7-8,11-13,15-16,18-19,21-22H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b9-6-/t23-,24-,26?,28-,30+,31+,38?,39-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229570
PNG
(US9334279, 1046)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C45H56F3N7O9S2/c1-25(2)62-35-13-12-28(23-50-35)32-19-30(20-33(51-32)38-49-16-17-65-38)63-31-21-34-37(56)53-44(40(58)54-66(60,61)43(7)14-15-43)22-29(44)11-9-8-10-26(3)18-27(4)36(39(57)55(34)24-31)52-41(59)64-42(5,6)45(46,47)48/h9,11-13,16-17,19-20,23,25-27,29,31,34,36H,8,10,14-15,18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t26-,27-,29?,31-,34+,36+,44-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229572
PNG
(US9334279, 1048)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C49H60F3N7O10S/c1-29(2)67-34-14-12-32(13-15-34)37-23-35(24-38(55-37)41-53-19-9-20-54-41)68-36-25-39-42(60)57-48(44(62)58-70(64,65)46(5)17-18-46)26-33(48)11-7-6-10-30(3)22-31(4)40(43(61)59(39)27-36)56-45(63)69-47(49(50,51)52)16-8-21-66-28-47/h7,9,11-15,19-20,23-24,29-31,33,36,39-40H,6,8,10,16-18,21-22,25-28H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b11-7-/t30-,31-,33?,36-,39+,40+,47?,48-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229577
PNG
(US9334279, 1053)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C44H50F6N6O8S2/c1-5-25-18-24(2)8-6-7-9-28-22-42(28,39(59)55-66(61,62)31-14-15-31)54-36(57)34-21-30(23-56(34)38(58)35(25)53-40(60)64-41(3,4)44(48,49)50)63-29-19-32(52-33(20-29)37-51-16-17-65-37)26-10-12-27(13-11-26)43(45,46)47/h7,9-13,16-17,19-20,24-25,28,30-31,34-35H,5-6,8,14-15,18,21-23H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b9-7-/t24-,25-,28?,30-,34+,35+,42-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229578
PNG
(US9334279, 1054)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C46H52F6N6O9S2/c1-3-27-19-26(2)7-4-5-8-30-23-44(30,41(61)57-69(63,64)33-13-14-33)56-38(59)36-22-32(24-58(36)40(60)37(27)55-42(62)67-43(46(50,51)52)15-6-17-65-25-43)66-31-20-34(54-35(21-31)39-53-16-18-68-39)28-9-11-29(12-10-28)45(47,48)49/h5,8-12,16,18,20-21,26-27,30,32-33,36-37H,3-4,6-7,13-15,17,19,22-25H2,1-2H3,(H,55,62)(H,56,59)(H,57,61)/b8-5-/t26-,27-,30?,32-,36+,37+,43?,44-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229581
PNG
(US9334279, 1057)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C48H60N6O9S2/c1-5-29-18-28(4)8-6-7-9-33-25-48(33,46(57)53-65(59,60)38-14-15-38)52-43(55)41-24-37(26-54(41)45(56)42(29)51-47(58)63-35-20-31-19-32(31)21-35)62-36-22-39(50-40(23-36)44-49-16-17-64-44)30-10-12-34(13-11-30)61-27(2)3/h7,9-13,16-17,22-23,27-29,31-33,35,37-38,41-42H,5-6,8,14-15,18-21,24-26H2,1-4H3,(H,51,58)(H,52,55)(H,53,57)/b9-7-/t28-,29-,31-,32+,33?,35+,37-,41+,42+,48-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229592
PNG
(US9334279, 1068)
Show SMILES COc1cccc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C35H48F3N5O9S/c1-20-10-7-8-11-22-18-34(22,30(46)42-53(48,49)33(5)14-15-33)41-28(44)24-17-23(51-26-13-9-12-25(39-26)50-6)19-43(24)29(45)27(21(2)16-20)40-31(47)52-32(3,4)35(36,37)38/h8-9,11-13,20-24,27H,7,10,14-19H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b11-8-/t20-,21-,22?,23-,24+,27+,34-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229593
PNG
(US9334279, 1069)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ncccc1Cl)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C34H45ClF3N5O8S/c1-19-9-6-7-10-21-17-33(21,29(46)42-52(48,49)32(5)12-13-32)41-26(44)24-16-22(50-27-23(35)11-8-14-39-27)18-43(24)28(45)25(20(2)15-19)40-30(47)51-31(3,4)34(36,37)38/h7-8,10-11,14,19-22,24-25H,6,9,12-13,15-18H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b10-7-/t19-,20-,21?,22-,24+,25+,33-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229531
PNG
(US9334279, 1007)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-21-32(22-35(51-34)39-50-18-19-65-39)63-33-23-36-38(56)53-45(41(58)54-66(60,61)44(7)16-17-44)24-30(45)11-9-8-10-27(3)20-28(4)37(40(57)55(36)25-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,18-19,21-22,26-28,30,33,36-37H,8,10,16-17,20,23-25H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28-,30?,33-,36+,37+,45-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229550
PNG
(US9334279, 1026)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C33H43ClF3N5O8S/c1-18-7-5-6-8-20-16-32(20,29(45)41-51(47,48)23-9-10-23)40-27(43)24-15-22(49-25-14-21(34)11-12-38-25)17-42(24)28(44)26(19(2)13-18)39-30(46)50-31(3,4)33(35,36)37/h6,8,11-12,14,18-20,22-24,26H,5,7,9-10,13,15-17H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b8-6-/t18-,19-,20?,22-,24+,26+,32-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229551
PNG
(US9334279, 1027)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26-,28?,31-,33+,35+,42-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229553
PNG
(US9334279, 1029)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27-,29?,32-,34+,36+,43-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229560
PNG
(US9334279, 1036)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cscn1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-39-40(54-44(61)68-46(48(49,50)51)16-9-19-64-26-46)42(59)57-24-34(67-33-20-35(53-36(21-33)37-25-69-27-52-37)30-12-14-32(15-13-30)65-28(2)3)22-38(57)41(58)55-47(23-31(47)11-8-7-10-29(4)66-39)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,20-21,25,27-29,31,34,38-40H,6-7,9-10,16-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,38+,39+,40+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229561
PNG
(US9334279, 1037)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccccn1)-c1ccc(OC(C)C)cc1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C50H61F3N6O11S/c1-6-41-42(56-46(63)70-48(50(51,52)53)19-11-23-66-29-48)44(61)59-28-36(69-35-24-38(32-15-17-34(18-16-32)67-30(2)3)55-39(25-35)37-14-9-10-22-54-37)26-40(59)43(60)57-49(27-33(49)13-8-7-12-31(4)68-41)45(62)58-71(64,65)47(5)20-21-47/h8-10,13-18,22,24-25,30-31,33,36,40-42H,6-7,11-12,19-21,23,26-29H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b13-8-/t31-,33?,36-,40+,41+,42+,48?,49-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229565
PNG
(US9334279, 1041)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-22-34(23-37(53-36)41-52-18-20-68-41)66-35-24-38-40(58)55-47(43(60)56-69(62,63)45(5)16-17-45)25-32(47)10-7-6-9-29(3)21-30(4)39(42(59)57(38)26-35)54-44(61)67-46(48(49,50)51)15-8-19-64-27-46/h7,10-14,18,20,22-23,28-30,32,35,38-39H,6,8-9,15-17,19,21,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,39+,46?,47-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229565
PNG
(US9334279, 1041)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-22-34(23-37(53-36)41-52-18-20-68-41)66-35-24-38-40(58)55-47(43(60)56-69(62,63)45(5)16-17-45)25-32(47)10-7-6-9-29(3)21-30(4)39(42(59)57(38)26-35)54-44(61)67-46(48(49,50)51)15-8-19-64-27-46/h7,10-14,18,20,22-23,28-30,32,35,38-39H,6,8-9,15-17,19,21,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,39+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229573
PNG
(US9334279, 1049)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H52F3N7O9S2/c1-26-8-4-5-10-29-22-43(29,39(57)53-65(59,60)41(3)12-13-41)52-36(55)34-21-31(62-30-19-32(28-9-6-14-48-23-28)50-33(20-30)37-49-15-17-64-37)24-54(34)38(56)35(27(2)18-26)51-40(58)63-42(44(45,46)47)11-7-16-61-25-42/h5-6,9-10,14-15,17,19-20,23,26-27,29,31,34-35H,4,7-8,11-13,16,18,21-22,24-25H2,1-3H3,(H,51,58)(H,52,55)(H,53,57)/b10-5-/t26-,27-,29?,31-,34+,35+,42?,43-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229579
PNG
(US9334279, 1055)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C39H51F3N6O8S2/c1-7-24-16-22(2)10-8-9-11-25-19-38(25,34(51)47-58(53,54)37(6)13-14-37)46-31(49)29-18-27(55-26-12-15-43-28(17-26)32-44-23(3)21-57-32)20-48(29)33(50)30(24)45-35(52)56-36(4,5)39(40,41)42/h9,11-12,15,17,21-22,24-25,27,29-30H,7-8,10,13-14,16,18-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/b11-9-/t22-,24-,25?,27-,29+,30+,38-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229580
PNG
(US9334279, 1056)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(OC)nc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C38H49F3N6O9S2/c1-6-22-15-21(2)9-7-8-10-23-19-37(23,34(50)46-58(52,53)26-11-12-26)45-31(48)28-17-25(55-24-16-27(32-42-13-14-57-32)43-29(18-24)54-5)20-47(28)33(49)30(22)44-35(51)56-36(3,4)38(39,40)41/h8,10,13-14,16,18,21-23,25-26,28,30H,6-7,9,11-12,15,17,19-20H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,23?,25-,28+,30+,37-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229584
PNG
(US9334279, 1060)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccccc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C43H51F3N6O8S2/c1-25-11-9-10-14-28-23-42(28,38(55)51-62(57,58)41(5)15-16-41)50-35(53)33-22-30(24-52(33)37(54)34(26(2)19-25)49-39(56)60-40(3,4)43(44,45)46)59-29-20-31(27-12-7-6-8-13-27)48-32(21-29)36-47-17-18-61-36/h6-8,10,12-14,17-18,20-21,25-26,28,30,33-34H,9,11,15-16,19,22-24H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b14-10-/t25-,26-,28?,30-,33+,34+,42-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229587
PNG
(US9334279, 1063)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-5-22-16-21(2)8-6-7-9-24-18-36(24,33(49)45-56(51,52)26-11-12-26)44-30(47)27-17-25(53-28-13-10-23(19-42-28)31-41-14-15-55-31)20-46(27)32(48)29(22)43-34(50)54-35(3,4)37(38,39)40/h7,9-10,13-15,19,21-22,24-27,29H,5-6,8,11-12,16-18,20H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,27+,29+,36-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229590
PNG
(US9334279, 1066)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ncccc1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C35H45F6N5O8S/c1-19-9-6-7-10-21-17-33(21,29(49)45-55(51,52)32(5)12-13-32)44-26(47)24-16-22(53-27-23(34(36,37)38)11-8-14-42-27)18-46(24)28(48)25(20(2)15-19)43-30(50)54-31(3,4)35(39,40)41/h7-8,10-11,14,19-22,24-25H,6,9,12-13,15-18H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b10-7-/t19-,20-,21?,22-,24+,25+,33-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229528
PNG
(US9334279, 1004)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-19-32(20-35(51-34)37-23-50-25-65-37)63-33-21-36-39(56)53-45(41(58)54-66(60,61)44(7)16-17-44)22-30(45)11-9-8-10-27(3)18-28(4)38(40(57)55(36)24-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,19-20,23,25-28,30,33,36,38H,8,10,16-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28+,30?,33+,36-,38-,45+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229533
PNG
(US9334279, 1009)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccncc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229535
PNG
(US9334279, 1011)
Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30-,32?,35-,39+,41+,48-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229537
PNG
(US9334279, 1013)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-n1cccn1
Show InChI InChI=1S/C46H58F3N7O9S/c1-27(2)63-32-15-13-30(14-16-32)35-22-33(24-37(51-35)56-20-10-19-50-56)64-34-23-36-39(57)53-45(41(59)54-66(61,62)44(7)17-18-44)25-31(45)12-9-8-11-28(3)21-29(4)38(40(58)55(36)26-34)52-42(60)65-43(5,6)46(47,48)49/h9-10,12-16,19-20,22,24,27-29,31,34,36,38H,8,11,17-18,21,23,25-26H2,1-7H3,(H,52,60)(H,53,57)(H,54,59)/b12-9-/t28-,29-,31?,34-,36+,38+,45-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229540
PNG
(US9334279, 1016)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22+,24?,26+,28-,30-,37+/m0/s1
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n/an/an/an/a 197n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229542
PNG
(US9334279, 1018)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30+,32?,35+,38-,40-,46?,47+/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229548
PNG
(US9334279, 1024)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23+,24?,26+,29-,30-,39+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229556
PNG
(US9334279, 1032 | US9334279, 1061)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229558
PNG
(US9334279, 1034)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-38-40(54-44(61)68-46(48(49,50)51)16-9-19-64-26-46)42(59)57-25-34(67-33-20-35(53-36(21-33)39-24-52-27-69-39)30-12-14-32(15-13-30)65-28(2)3)22-37(57)41(58)55-47(23-31(47)11-8-7-10-29(4)66-38)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,20-21,24,27-29,31,34,37-38,40H,6-7,9-10,16-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,37+,38+,40+,46?,47-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229558
PNG
(US9334279, 1034)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-38-40(54-44(61)68-46(48(49,50)51)16-9-19-64-26-46)42(59)57-25-34(67-33-20-35(53-36(21-33)39-24-52-27-69-39)30-12-14-32(15-13-30)65-28(2)3)22-37(57)41(58)55-47(23-31(47)11-8-7-10-29(4)66-38)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,20-21,24,27-29,31,34,37-38,40H,6-7,9-10,16-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,37+,38+,40+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229562
PNG
(US9334279, 1038)
Show SMILES CC[C@@H]1OCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C47H57F3N6O11S2/c1-5-37-39(53-43(60)67-45(47(48,49)50)15-9-18-63-26-45)41(58)56-25-33(66-32-20-34(52-35(21-32)38-24-51-27-68-38)29-11-13-31(14-12-29)65-28(2)3)22-36(56)40(57)54-46(23-30(46)10-7-6-8-19-64-37)42(59)55-69(61,62)44(4)16-17-44/h7,10-14,20-21,24,27-28,30,33,36-37,39H,5-6,8-9,15-19,22-23,25-26H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b10-7-/t30?,33-,36+,37+,39+,45?,46-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229564
PNG
(US9334279, 1040)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C46H52F6N6O10S2/c1-4-35-36(55-41(62)68-43(46(50,51)52)14-7-18-65-25-43)39(60)58-24-31(67-30-20-32(54-33(21-30)38-53-17-19-69-38)27-10-12-28(13-11-27)45(47,48)49)22-34(58)37(59)56-44(23-29(44)9-6-5-8-26(2)66-35)40(61)57-70(63,64)42(3)15-16-42/h6,9-13,17,19-21,26,29,31,34-36H,4-5,7-8,14-16,18,22-25H2,1-3H3,(H,55,62)(H,56,59)(H,57,61)/b9-6-/t26-,29?,31-,34+,35+,36+,43?,44-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229574
PNG
(US9334279, 1050)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C42H50F3N7O8S2/c1-24-9-6-7-11-27-21-41(27,37(55)51-62(57,58)40(5)12-13-40)50-34(53)32-20-29(23-52(32)36(54)33(25(2)17-24)49-38(56)60-39(3,4)42(43,44)45)59-28-18-30(26-10-8-14-46-22-26)48-31(19-28)35-47-15-16-61-35/h7-8,10-11,14-16,18-19,22,24-25,27,29,32-33H,6,9,12-13,17,20-21,23H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b11-7-/t24-,25-,27?,29-,32+,33+,41-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229574
PNG
(US9334279, 1050)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1cccnc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C42H50F3N7O8S2/c1-24-9-6-7-11-27-21-41(27,37(55)51-62(57,58)40(5)12-13-40)50-34(53)32-20-29(23-52(32)36(54)33(25(2)17-24)49-38(56)60-39(3,4)42(43,44)45)59-28-18-30(26-10-8-14-46-22-26)48-31(19-28)35-47-15-16-61-35/h7-8,10-11,14-16,18-19,22,24-25,27,29,32-33H,6,9,12-13,17,20-21,23H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b11-7-/t24-,25-,27?,29-,32+,33+,41-/m1/s1
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Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229580
PNG
(US9334279, 1056)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(OC)nc(c1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C38H49F3N6O9S2/c1-6-22-15-21(2)9-7-8-10-23-19-37(23,34(50)46-58(52,53)26-11-12-26)45-31(48)28-17-25(55-24-16-27(32-42-13-14-57-32)43-29(18-24)54-5)20-47(28)33(49)30(22)44-35(51)56-36(3,4)38(39,40)41/h8,10,13-14,16,18,21-23,25-26,28,30H,6-7,9,11-12,15,17,19-20H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,23?,25-,28+,30+,37-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229556
PNG
(US9334279, 1032 | US9334279, 1061)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229588
PNG
(US9334279, 1064)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-18-36(24,32(49)45-56(51,52)35(5)12-13-35)44-29(47)26-17-25(53-27-11-10-23(19-42-27)30-41-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-11,14-15,19,21-22,24-26,28H,6,8,12-13,16-18,20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229529
PNG
(US9334279, 1005)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229540
PNG
(US9334279, 1016)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22+,24?,26+,28-,30-,37+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229543
PNG
(US9334279, 1019)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29-,31?,34-,37+,38+,46-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229552
PNG
(US9334279, 1028)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26+,28?,31+,33-,35-,42+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229554
PNG
(US9334279, 1030)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27+,29?,32+,34-,36-,43+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229559
PNG
(US9334279, 1035)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-38-39(54-44(61)68-46(48(49,50)51)16-9-20-64-27-46)42(59)57-26-34(67-33-22-35(53-36(23-33)41-52-19-21-69-41)30-12-14-32(15-13-30)65-28(2)3)24-37(57)40(58)55-47(25-31(47)11-8-7-10-29(4)66-38)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,19,21-23,28-29,31,34,37-39H,6-7,9-10,16-18,20,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,37+,38+,39+,46?,47-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229560
PNG
(US9334279, 1036)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cscn1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-39-40(54-44(61)68-46(48(49,50)51)16-9-19-64-26-46)42(59)57-24-34(67-33-20-35(53-36(21-33)37-25-69-27-52-37)30-12-14-32(15-13-30)65-28(2)3)22-38(57)41(58)55-47(23-31(47)11-8-7-10-29(4)66-39)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,20-21,25,27-29,31,34,38-40H,6-7,9-10,16-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,38+,39+,40+,46?,47-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229567
PNG
(US9334279, 1043)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1ncc(C)s1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-19-23(3)56-31)20-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,19,21-22,24,26,28-29H,7,9,12-13,15,17-18,20H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229569
PNG
(US9334279, 1045)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-23(3)20-56-31)19-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,20-22,24,26,28-29H,7,9,12-13,15,17-19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229569
PNG
(US9334279, 1045)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-23(3)20-56-31)19-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,20-22,24,26,28-29H,7,9,12-13,15,17-19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229571
PNG
(US9334279, 1047)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C47H58F3N7O10S2/c1-27(2)65-37-12-11-30(24-52-37)34-20-32(21-35(53-34)40-51-16-18-68-40)66-33-22-36-39(58)55-46(42(60)56-69(62,63)44(5)14-15-44)23-31(46)10-7-6-9-28(3)19-29(4)38(41(59)57(36)25-33)54-43(61)67-45(47(48,49)50)13-8-17-64-26-45/h7,10-12,16,18,20-21,24,27-29,31,33,36,38H,6,8-9,13-15,17,19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t28-,29-,31?,33-,36+,38+,45?,46-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229572
PNG
(US9334279, 1048)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C49H60F3N7O10S/c1-29(2)67-34-14-12-32(13-15-34)37-23-35(24-38(55-37)41-53-19-9-20-54-41)68-36-25-39-42(60)57-48(44(62)58-70(64,65)46(5)17-18-46)26-33(48)11-7-6-10-30(3)22-31(4)40(43(61)59(39)27-36)56-45(63)69-47(49(50,51)52)16-8-21-66-28-47/h7,9,11-15,19-20,23-24,29-31,33,36,39-40H,6,8,10,16-18,21-22,25-28H2,1-5H3,(H,56,63)(H,57,60)(H,58,62)/b11-7-/t30-,31-,33?,36-,39+,40+,47?,48-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229576
PNG
(US9334279, 1052)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cscn1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)38-25-68-27-52-38)66-35-22-39-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(39)24-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,25,27-30,32,35,39-40H,6,8-9,15-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,39+,40+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229589
PNG
(US9334279, 1065)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)Oc1ncccc1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C35H48F3N5O8S/c1-20-10-7-8-11-22-18-34(22,30(46)42-52(48,49)33(6)13-14-33)41-27(44)25-17-23(50-28-24(35(36,37)38)12-9-15-39-28)19-43(25)29(45)26(21(2)16-20)40-31(47)51-32(3,4)5/h8-9,11-12,15,20-23,25-26H,7,10,13-14,16-19H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b11-8-/t20-,21-,22?,23-,25+,26+,34-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229529
PNG
(US9334279, 1005)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cccnc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-16-14-31(15-17-34)37-22-35(23-38(53-37)32-12-10-20-52-26-32)65-36-24-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)25-33(47)13-9-8-11-29(3)21-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9-10,12-17,20,22-23,26,28-30,33,36,39-40H,8,11,18-19,21,24-25,27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,33?,36-,39+,40+,47-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229534
PNG
(US9334279, 1010)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccncc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229539
PNG
(US9334279, 1015)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(C)nc(c1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-17-37(24,33(50)46-57(52,53)36(6)11-12-36)45-31(48)28-16-26(54-25-14-23(3)43-27(15-25)29-18-42-20-56-29)19-47(28)32(49)30(22(2)13-21)44-34(51)55-35(4,5)38(39,40)41/h8,10,14-15,18,20-22,24,26,28,30H,7,9,11-13,16-17,19H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,30+,37-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229541
PNG
(US9334279, 1017)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,38+,40+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229545
PNG
(US9334279, 1021)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,32?,35-,39+,40+,47-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229546
PNG
(US9334279, 1022)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,32?,35+,39-,40-,47+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229548
PNG
(US9334279, 1024)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23+,24?,26+,29-,30-,39+/m0/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229556
PNG
(US9334279, 1032 | US9334279, 1061)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229559
PNG
(US9334279, 1035)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C48H59F3N6O11S2/c1-6-38-39(54-44(61)68-46(48(49,50)51)16-9-20-64-27-46)42(59)57-26-34(67-33-22-35(53-36(23-33)41-52-19-21-69-41)30-12-14-32(15-13-30)65-28(2)3)24-37(57)40(58)55-47(25-31(47)11-8-7-10-29(4)66-38)43(60)56-70(62,63)45(5)17-18-45/h8,11-15,19,21-23,28-29,31,34,37-39H,6-7,9-10,16-18,20,24-27H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b11-8-/t29-,31?,34-,37+,38+,39+,46?,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229563
PNG
(US9334279, 1039)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C44H50F6N6O9S2/c1-6-33-34(53-39(60)65-40(3,4)44(48,49)50)37(58)56-23-29(64-28-19-30(52-31(20-28)36-51-17-18-66-36)25-11-13-26(14-12-25)43(45,46)47)21-32(56)35(57)54-42(22-27(42)10-8-7-9-24(2)63-33)38(59)55-67(61,62)41(5)15-16-41/h8,10-14,17-20,24,27,29,32-34H,6-7,9,15-16,21-23H2,1-5H3,(H,53,60)(H,54,57)(H,55,59)/b10-8-/t24-,27?,29-,32+,33+,34+,42-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229576
PNG
(US9334279, 1052)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cscn1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)38-25-68-27-52-38)66-35-22-39-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(39)24-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,25,27-30,32,35,39-40H,6,8-9,15-19,22-24,26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30-,32?,35-,39+,40+,46?,47-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229577
PNG
(US9334279, 1053)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C44H50F6N6O8S2/c1-5-25-18-24(2)8-6-7-9-28-22-42(28,39(59)55-66(61,62)31-14-15-31)54-36(57)34-21-30(23-56(34)38(58)35(25)53-40(60)64-41(3,4)44(48,49)50)63-29-19-32(52-33(20-29)37-51-16-17-65-37)26-10-12-27(13-11-26)43(45,46)47/h7,9-13,16-17,19-20,24-25,28,30-31,34-35H,5-6,8,14-15,18,21-23H2,1-4H3,(H,53,60)(H,54,57)(H,55,59)/b9-7-/t24-,25-,28?,30-,34+,35+,42-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229584
PNG
(US9334279, 1060)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1ccccc1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C43H51F3N6O8S2/c1-25-11-9-10-14-28-23-42(28,38(55)51-62(57,58)41(5)15-16-41)50-35(53)33-22-30(24-52(33)37(54)34(26(2)19-25)49-39(56)60-40(3,4)43(44,45)46)59-29-20-31(27-12-7-6-8-13-27)48-32(21-29)36-47-17-18-61-36/h6-8,10,12-14,17-18,20-21,25-26,28,30,33-34H,9,11,15-16,19,22-24H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/b14-10-/t25-,26-,28?,30-,33+,34+,42-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229555
PNG
(US9334279, 1031 | US9334279, 1062)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229591
PNG
(US9334279, 1067)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1nccc(Cl)c1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C35H44ClF6N5O8S/c1-18-8-6-7-9-20-16-33(20,29(50)46-56(52,53)32(5)11-12-32)45-26(48)23-15-21(54-27-24(34(37,38)39)22(36)10-13-43-27)17-47(23)28(49)25(19(2)14-18)44-30(51)55-31(3,4)35(40,41)42/h7,9-10,13,18-21,23,25H,6,8,11-12,14-17H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/b9-7-/t18-,19-,20?,21-,23+,25+,33-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229527
PNG
(US9334279, 1003)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-19-32(20-35(51-34)37-23-50-25-65-37)63-33-21-36-39(56)53-45(41(58)54-66(60,61)44(7)16-17-44)22-30(45)11-9-8-10-27(3)18-28(4)38(40(57)55(36)24-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,19-20,23,25-28,30,33,36,38H,8,10,16-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28-,30?,33-,36+,38+,45-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229531
PNG
(US9334279, 1007)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-21-32(22-35(51-34)39-50-18-19-65-39)63-33-23-36-38(56)53-45(41(58)54-66(60,61)44(7)16-17-44)24-30(45)11-9-8-10-27(3)20-28(4)37(40(57)55(36)25-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,18-19,21-22,26-28,30,33,36-37H,8,10,16-17,20,23-25H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28-,30?,33-,36+,37+,45-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229532
PNG
(US9334279, 1008)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C46H57F3N6O9S2/c1-26(2)62-31-14-12-29(13-15-31)34-21-32(22-35(51-34)39-50-18-19-65-39)63-33-23-36-38(56)53-45(41(58)54-66(60,61)44(7)16-17-44)24-30(45)11-9-8-10-27(3)20-28(4)37(40(57)55(36)25-33)52-42(59)64-43(5,6)46(47,48)49/h9,11-15,18-19,21-22,26-28,30,33,36-37H,8,10,16-17,20,23-25H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t27-,28+,30?,33+,36-,37-,45+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229536
PNG
(US9334279, 1012)
Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30+,32?,35+,39-,41-,48+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229552
PNG
(US9334279, 1028)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26+,28?,31+,33-,35-,42+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229553
PNG
(US9334279, 1029)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27-,29?,32-,34+,36+,43-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229555
PNG
(US9334279, 1031 | US9334279, 1062)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229567
PNG
(US9334279, 1043)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1ncc(C)s1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C38H49F3N6O8S2/c1-21-9-7-8-10-24-18-37(24,33(50)46-57(52,53)36(6)12-13-36)45-30(48)28-17-26(54-25-11-14-42-27(16-25)31-43-19-23(3)56-31)20-47(28)32(49)29(22(2)15-21)44-34(51)55-35(4,5)38(39,40)41/h8,10-11,14,16,19,21-22,24,26,28-29H,7,9,12-13,15,17-18,20H2,1-6H3,(H,44,51)(H,45,48)(H,46,50)/b10-8-/t21-,22-,24?,26-,28+,29+,37-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229568
PNG
(US9334279, 1044)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C1)Oc1ccnc(c1)-c1ncc(C)s1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H51F3N6O9S2/c1-23-8-5-6-9-26-19-39(26,35(52)48-60(54,55)37(4)12-13-37)47-32(50)30-18-28(57-27-10-14-44-29(17-27)33-45-20-25(3)59-33)21-49(30)34(51)31(24(2)16-23)46-36(53)58-38(40(41,42)43)11-7-15-56-22-38/h6,9-10,14,17,20,23-24,26,28,30-31H,5,7-8,11-13,15-16,18-19,21-22H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b9-6-/t23-,24-,26?,28-,30+,31+,38?,39-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229570
PNG
(US9334279, 1046)
Show SMILES CC(C)Oc1ccc(cn1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1nccs1
Show InChI InChI=1S/C45H56F3N7O9S2/c1-25(2)62-35-13-12-28(23-50-35)32-19-30(20-33(51-32)38-49-16-17-65-38)63-31-21-34-37(56)53-44(40(58)54-66(60,61)43(7)14-15-43)22-29(44)11-9-8-10-26(3)18-27(4)36(39(57)55(34)24-31)52-41(59)64-42(5,6)45(46,47)48/h9,11-13,16-17,19-20,23,25-27,29,31,34,36H,8,10,14-15,18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b11-9-/t26-,27-,29?,31-,34+,36+,44-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229578
PNG
(US9334279, 1054)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C46H52F6N6O9S2/c1-3-27-19-26(2)7-4-5-8-30-23-44(30,41(61)57-69(63,64)33-13-14-33)56-38(59)36-22-32(24-58(36)40(60)37(27)55-42(62)67-43(46(50,51)52)15-6-17-65-25-43)66-31-20-34(54-35(21-31)39-53-16-18-68-39)28-9-11-29(12-10-28)45(47,48)49/h5,8-12,16,18,20-21,26-27,30,32-33,36-37H,3-4,6-7,13-15,17,19,22-25H2,1-2H3,(H,55,62)(H,56,59)(H,57,61)/b8-5-/t26-,27-,30?,32-,36+,37+,43?,44-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229579
PNG
(US9334279, 1055)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccnc(c1)-c1nc(C)cs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C39H51F3N6O8S2/c1-7-24-16-22(2)10-8-9-11-25-19-38(25,34(51)47-58(53,54)37(6)13-14-37)46-31(49)29-18-27(55-26-12-15-43-28(17-26)32-44-23(3)21-57-32)20-48(29)33(50)30(24)45-35(52)56-36(4,5)39(40,41)42/h9,11-12,15,17,21-22,24-25,27,29-30H,7-8,10,13-14,16,18-20H2,1-6H3,(H,45,52)(H,46,49)(H,47,51)/b11-9-/t22-,24-,25?,27-,29+,30+,38-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229581
PNG
(US9334279, 1057)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C48H60N6O9S2/c1-5-29-18-28(4)8-6-7-9-33-25-48(33,46(57)53-65(59,60)38-14-15-38)52-43(55)41-24-37(26-54(41)45(56)42(29)51-47(58)63-35-20-31-19-32(31)21-35)62-36-22-39(50-40(23-36)44-49-16-17-64-44)30-10-12-34(13-11-30)61-27(2)3/h7,9-13,16-17,22-23,27-29,31-33,35,37-38,41-42H,5-6,8,14-15,18-21,24-26H2,1-4H3,(H,51,58)(H,52,55)(H,53,57)/b9-7-/t28-,29-,31-,32+,33?,35+,37-,41+,42+,48-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229555
PNG
(US9334279, 1031 | US9334279, 1062)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229534
PNG
(US9334279, 1010)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccncc1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229535
PNG
(US9334279, 1011)
Show SMILES COc1cccc(n1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C49H61F3N6O10S/c1-28(2)66-33-18-16-31(17-19-33)37-23-34(24-38(53-37)36-14-11-15-40(54-36)65-8)67-35-25-39-42(59)56-48(44(61)57-69(63,64)47(7)20-21-47)26-32(48)13-10-9-12-29(3)22-30(4)41(43(60)58(39)27-35)55-45(62)68-46(5,6)49(50,51)52/h10-11,13-19,23-24,28-30,32,35,39,41H,9,12,20-22,25-27H2,1-8H3,(H,55,62)(H,56,59)(H,57,61)/b13-10-/t29-,30-,32?,35-,39+,41+,48-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229538
PNG
(US9334279, 1014)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-n1cccn1
Show InChI InChI=1S/C46H58F3N7O9S/c1-27(2)63-32-15-13-30(14-16-32)35-22-33(24-37(51-35)56-20-10-19-50-56)64-34-23-36-39(57)53-45(41(59)54-66(61,62)44(7)17-18-44)25-31(45)12-9-8-11-28(3)21-29(4)38(40(58)55(36)26-34)52-42(60)65-43(5,6)46(47,48)49/h9-10,12-16,19-20,22,24,27-29,31,34,36,38H,8,11,17-18,21,23,25-26H2,1-7H3,(H,52,60)(H,53,57)(H,54,59)/b12-9-/t28-,29+,31?,34+,36-,38-,45+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229542
PNG
(US9334279, 1018)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC2(CCCOC2)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1cncs1
Show InChI InChI=1S/C48H59F3N6O10S2/c1-28(2)65-33-13-11-31(12-14-33)36-20-34(21-37(53-36)39-24-52-27-68-39)66-35-22-38-41(58)55-47(43(60)56-69(62,63)45(5)16-17-45)23-32(47)10-7-6-9-29(3)19-30(4)40(42(59)57(38)25-35)54-44(61)67-46(48(49,50)51)15-8-18-64-26-46/h7,10-14,20-21,24,27-30,32,35,38,40H,6,8-9,15-19,22-23,25-26H2,1-5H3,(H,54,61)(H,55,58)(H,56,60)/b10-7-/t29-,30+,32?,35+,38-,40-,46?,47+/m0/s1
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Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229544
PNG
(US9334279, 1020)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ncccn1
Show InChI InChI=1S/C47H58F3N7O9S/c1-27(2)64-32-15-13-30(14-16-32)35-22-33(23-36(53-35)39-51-19-10-20-52-39)65-34-24-37-40(58)55-46(42(60)56-67(62,63)45(7)17-18-45)25-31(46)12-9-8-11-28(3)21-29(4)38(41(59)57(37)26-34)54-43(61)66-44(5,6)47(48,49)50/h9-10,12-16,19-20,22-23,27-29,31,34,37-38H,8,11,17-18,21,24-26H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b12-9-/t28-,29+,31?,34+,37-,38-,46+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229545
PNG
(US9334279, 1021)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30-,32?,35-,39+,40+,47-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229546
PNG
(US9334279, 1022)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)cc(n1)-c1ccccn1
Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-33-17-15-31(16-18-33)37-23-34(24-38(53-37)36-14-10-11-21-52-36)65-35-25-39-41(58)55-47(43(60)56-67(62,63)46(7)19-20-46)26-32(47)13-9-8-12-29(3)22-30(4)40(42(59)57(39)27-35)54-44(61)66-45(5,6)48(49,50)51/h9-11,13-18,21,23-24,28-30,32,35,39-40H,8,12,19-20,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b13-9-/t29-,30+,32?,35+,39-,40-,47+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229547
PNG
(US9334279, 1023)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(nc(c1)-c1nccs1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C40H48F3N7O8S3/c1-22-8-6-7-9-24-20-39(24,35(53)49-61(55,56)38(5)10-11-38)48-31(51)29-19-26(57-25-17-27(32-44-12-14-59-32)46-28(18-25)33-45-13-15-60-33)21-50(29)34(52)30(23(2)16-22)47-36(54)58-37(3,4)40(41,42)43/h7,9,12-15,17-18,22-24,26,29-30H,6,8,10-11,16,19-21H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/b9-7-/t22-,23-,24?,26-,29+,30+,39-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229550
PNG
(US9334279, 1026)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(Cl)ccn1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C33H43ClF3N5O8S/c1-18-7-5-6-8-20-16-32(20,29(45)41-51(47,48)23-9-10-23)40-27(43)24-15-22(49-25-14-21(34)11-12-38-25)17-42(24)28(44)26(19(2)13-18)39-30(46)50-31(3,4)33(35,36)37/h6,8,11-12,14,18-20,22-24,26H,5,7,9-10,13,15-17H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b8-6-/t18-,19-,20?,22-,24+,26+,32-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229551
PNG
(US9334279, 1027)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H55ClF3N5O9S/c1-24(2)59-30-14-12-27(13-15-30)32-19-29(44)20-34(48-32)60-31-21-33-36(53)50-42(38(55)51-62(57,58)41(7)16-17-41)22-28(42)11-9-8-10-25(3)18-26(4)35(37(54)52(33)23-31)49-39(56)61-40(5,6)43(45,46)47/h9,11-15,19-20,24-26,28,31,33,35H,8,10,16-18,21-23H2,1-7H3,(H,49,56)(H,50,53)(H,51,55)/b11-9-/t25-,26-,28?,31-,33+,35+,42-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229554
PNG
(US9334279, 1030)
Show SMILES CC(C)Oc1ccc(cc1)-c1cc(Cl)cc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C[C@@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1
Show InChI InChI=1S/C43H58ClN5O9S/c1-25(2)56-31-15-13-28(14-16-31)33-20-30(44)21-35(45-33)57-32-22-34-37(50)47-43(39(52)48-59(54,55)42(8)17-18-42)23-29(43)12-10-9-11-26(3)19-27(4)36(38(51)49(34)24-32)46-40(53)58-41(5,6)7/h10,12-16,20-21,25-27,29,32,34,36H,9,11,17-19,22-24H2,1-8H3,(H,46,53)(H,47,50)(H,48,52)/b12-10-/t26-,27+,29?,32+,34-,36-,43+/m0/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229557
PNG
(US9334279, 1033)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(OC(C)C)cc1)-c1cncs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C46H57F3N6O10S2/c1-8-36-38(52-42(59)65-43(5,6)46(47,48)49)40(57)55-24-32(64-31-19-33(51-34(20-31)37-23-50-25-66-37)28-13-15-30(16-14-28)62-26(2)3)21-35(55)39(56)53-45(22-29(45)12-10-9-11-27(4)63-36)41(58)54-67(60,61)44(7)17-18-44/h10,12-16,19-20,23,25-27,29,32,35-36,38H,8-9,11,17-18,21-22,24H2,1-7H3,(H,52,59)(H,53,56)(H,54,58)/b12-10-/t27-,29?,32-,35+,36+,38+,45-/m1/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229564
PNG
(US9334279, 1040)
Show SMILES CC[C@@H]1O[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC1(CCCOC1)C(F)(F)F)Oc1cc(nc(c1)-c1ccc(cc1)C(F)(F)F)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C46H52F6N6O10S2/c1-4-35-36(55-41(62)68-43(46(50,51)52)14-7-18-65-25-43)39(60)58-24-31(67-30-20-32(54-33(21-30)38-53-17-19-69-38)27-10-12-28(13-11-27)45(47,48)49)22-34(58)37(59)56-44(23-29(44)9-6-5-8-26(2)66-35)40(61)57-70(63,64)42(3)15-16-42/h6,9-13,17,19-21,26,29,31,34-36H,4-5,7-8,14-16,18,22-25H2,1-3H3,(H,55,62)(H,56,59)(H,57,61)/b9-6-/t26-,29?,31-,34+,35+,36+,43?,44-/m1/s1
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HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1b (strain J4L2S) (HCV))
BDBM229556
PNG
(US9334279, 1032 | US9334279, 1061)
Show SMILES C[C@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1cc(ccn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-19-36(24,32(49)45-56(51,52)35(5)11-12-35)44-29(47)26-18-25(53-27-17-23(10-13-41-27)30-42-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-10,13-15,17,21-22,24-26,28H,6,8,11-12,16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22+,24?,25+,26-,28-,36+/m0/s1
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More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229587
PNG
(US9334279, 1063)
Show SMILES CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-5-22-16-21(2)8-6-7-9-24-18-36(24,33(49)45-56(51,52)26-11-12-26)44-30(47)27-17-25(53-28-13-10-23(19-42-28)31-41-14-15-55-31)20-46(27)32(48)29(22)43-34(50)54-35(3,4)37(38,39)40/h7,9-10,13-15,19,21-22,24-27,29H,5-6,8,11-12,16-18,20H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,27+,29+,36-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


Citation and Details
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM229588
PNG
(US9334279, 1064)
Show SMILES C[C@@H]1CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C1)Oc1ccc(cn1)-c1nccs1)C(=O)NS(=O)(=O)C1(C)CC1
Show InChI InChI=1S/C37H47F3N6O8S2/c1-21-8-6-7-9-24-18-36(24,32(49)45-56(51,52)35(5)12-13-35)44-29(47)26-17-25(53-27-11-10-23(19-42-27)30-41-14-15-55-30)20-46(26)31(48)28(22(2)16-21)43-33(50)54-34(3,4)37(38,39)40/h7,9-11,14-15,19,21-22,24-26,28H,6,8,12-13,16-18,20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b9-7-/t21-,22-,24?,25-,26+,28+,36-/m1/s1
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Assay Description
HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...


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