Compile Data Set for Download or QSAR

Found 1043 hits of ic50 data for polymerid = 10485,1066,6868   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM103840 (Asu-mcP1P3) Show SMILES COc1cnc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@H](CCCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)NC(=O)OC(C)(C)C)c2cc(Cl)ccc12 |r,c:21| Show InChI InChI=1S/C36H46ClN5O9S/c1-35(2,3)51-34(46)39-27-11-9-7-5-6-8-10-21-18-36(21,33(45)41-52(47,48)24-13-14-24)40-30(43)28-17-23(20-42(28)32(27)44)50-31-26-16-22(37)12-15-25(26)29(49-4)19-38-31/h8,10,12,15-16,19,21,23-24,27-28H,5-7,9,11,13-14,17-18,20H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/b10-8-/t21-,23-,27+,28+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ...				ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM103839 (Danoprevir) Show SMILES CC(C)(C)OC(=O)NC1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:14| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27?,28+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ...				ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM103841 (5172-mcP1P3) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](CCCCC\C=C/[C@@H]1C[C@]1(NC2=O)C(=O)NS(=O)(=O)C1CC1)NC(=O)OC(C)(C)C |r,c:31| Show InChI InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10-/t22-,24-,28+,30+,37-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ...				ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM103838 (MK-5172) Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4CC(C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)Oc3nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24?,29+,30-,31-,38-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School					Assay Description NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour. Inhibition assays were performed in ...				ACS Chem Biol 8: 1469-78 (2013) Article DOI: 10.1021/cb400100g BindingDB Entry DOI: 10.7270/Q2FQ9V7S
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM196124 (US9206232, 125) Show SMILES CC(C)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1 |r| Show InChI InChI=1S/C46H73N7O8S/c1-7-32-27-46(32,41(58)50-62(59,60)51-22-11-12-23-51)49-38(55)34-28-45(42(4,5)44(45)18-14-19-44)29-53(34)40(57)36(43(6)20-25-61-26-21-43)48-39(56)35(31-15-9-8-10-16-31)47-37(54)33-17-13-24-52(33)30(2)3/h7,30-36H,1,8-29H2,2-6H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t32-,33+,34+,35+,36-,45-,46-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110396 (US8613914, 170 | US9206232, 170) Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C44H73N7O7S/c1-11-30-25-44(30,39(56)48-59(57,58)49(10)12-2)47-36(53)32-26-43(41(8,9)42(43)22-18-23-42)27-51(32)38(55)34(40(5,6)7)46-37(54)33(29-19-14-13-15-20-29)45-35(52)31-21-16-17-24-50(31)28(3)4/h11,28-34H,1,12-27H2,2-10H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208264 (US9265773, 209) Show SMILES COC(=O)C(=O)N(C)C(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H26F2N4O8S/c1-39(34(43)35(44)47-3)33(42)30-22-14-21(26(40(2)50(4,45)46)16-29(22)49-32(30)18-8-10-19(36)11-9-18)24-12-13-28-31(38-24)27-15-20-23(37)6-5-7-25(20)41(27)17-48-28/h5-16H,17H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110400 (US8613914, 174 | US9206232, 174) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C45H75N7O7S/c1-11-31-26-45(31,40(57)49-60(58,59)50(12-2)13-3)48-37(54)33-27-44(42(9,10)43(44)23-19-24-43)28-52(33)39(56)35(41(6,7)8)47-38(55)34(30-20-15-14-16-21-30)46-36(53)32-22-17-18-25-51(32)29(4)5/h11,29-35H,1,12-28H2,2-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34?,35-,44-,45-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208106 (US9265773, 49) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4cccnc34)-c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H25FN4O5S/c1-34-32(38)29-24-15-22(19-8-11-27-23(13-19)26-14-20-5-4-12-35-31(20)37(26)17-41-27)25(36(2)43(3,39)40)16-28(24)42-30(29)18-6-9-21(33)10-7-18/h4-16H,17H2,1-3H3,(H,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110393 (US8613914, 167 | US9206232, 167) Show SMILES CCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C40H60N8O7S/c1-9-26-21-40(26,35(53)46-56(54,55)47(8)10-2)45-32(50)28-22-39(37(6,7)38(39)17-14-18-38)24-48(28)34(52)30(36(3,4)5)44-33(51)29(25-15-12-11-13-16-25)43-31(49)27-23-41-19-20-42-27/h9,19-20,23,25-26,28-30H,1,10-18,21-22,24H2,2-8H3,(H,43,49)(H,44,51)(H,45,50)(H,46,53)/t26-,28+,29?,30-,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307542 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.603	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208061 (US9265773, 4) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H24FN5O5S/c1-33-31(38)27-21-13-20(23(36(2)43(3,39)40)14-25(21)42-29(27)17-8-10-19(32)11-9-17)30-34-15-26-28(35-30)24-12-18-6-4-5-7-22(18)37(24)16-41-26/h4-15H,16H2,1-3H3,(H,33,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110388 (US8613914, 162 | US9206232, 162) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C)C(C)(C)C21CCC1)C(C)(C)C |r| Show InChI InChI=1S/C43H71N7O7S/c1-11-29-24-43(29,38(55)47-58(56,57)48(9)10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208090 (US9265773, 33) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H23FN6O5S/c1-35-31(40)28-22-11-21(25(38(2)45(3,41)42)13-27(22)44-30(28)17-7-9-19(33)10-8-17)23-15-36-32-29(37-23)26-12-20-18(14-34)5-4-6-24(20)39(26)16-43-32/h4-13,15H,16H2,1-3H3,(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208080 (US9265773, 23) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(cccc4n3COc2cn1)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C33H24FN5O5S/c1-36-33(40)31-24-11-22(27(38(2)45(3,41)42)14-29(24)44-32(31)18-7-9-20(34)10-8-18)25-12-23-28-13-21-19(15-35)5-4-6-26(21)39(28)17-43-30(23)16-37-25/h4-14,16H,17H2,1-3H3,(H,36,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM196120 (US9206232, 77) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C44H73N7O7S/c1-10-30-26-44(30,39(56)48-59(57,58)50(12-3)13-4)47-36(53)32-27-43(41(8,9)42(43)23-19-24-42)28-51(32)38(55)34(40(5,6)7)46-37(54)33(29-20-15-14-16-21-29)45-35(52)31-22-17-18-25-49(31)11-2/h10,29-34H,1,11-28H2,2-9H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33?,34-,43-,44-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110280 (US8613914, 48 | US9206232, 48) Show SMILES CN1CCCC[C@@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C(C)(C)C |r| Show InChI InChI=1S/C43H69N7O7S/c1-8-29-25-43(29,38(55)47-58(56,57)49-23-14-15-24-49)46-35(52)31-26-42(40(5,6)41(42)20-16-21-41)27-50(31)37(54)33(39(2,3)4)45-36(53)32(28-17-10-9-11-18-28)44-34(51)30-19-12-13-22-48(30)7/h8,28-33H,1,9-27H2,2-7H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30-,31+,32+,33-,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110273 (US8613914, 41 | US9206232, 41) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C46H73N7O8S/c1-6-33-27-46(33,42(58)50-62(59,60)51-22-12-13-23-51)49-39(55)35-28-45(43(4,5)44(45)20-14-21-44)29-53(35)41(57)37(32-18-25-61-26-19-32)48-40(56)36(31-15-8-7-9-16-31)47-38(54)34-17-10-11-24-52(34)30(2)3/h6,30-37H,1,7-29H2,2-5H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t33-,34+,35+,36+,37+,45-,46-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110388 (US8613914, 162 | US9206232, 162) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)C)C(C)(C)C21CCC1)C(C)(C)C |r| Show InChI InChI=1S/C43H71N7O7S/c1-11-29-24-43(29,38(55)47-58(56,57)48(9)10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM204715 (US9243002, 55) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2C(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H26F2N4O5S/c1-36-33(41)30-22-13-21(26(38(2)45(3,42)43)15-29(22)44-32(30)17-7-9-18(34)10-8-17)24-12-11-19-28(16-40)39-25-6-4-5-23(35)20(25)14-27(39)31(19)37-24/h4-15,28,40H,16H2,1-3H3,(H,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.971	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110397 (US8613914, 171 | US9206232, 171) Show SMILES CC(C)N1CCCC[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N(C)CCCl)C(C)(C)C21CCC1)C(C)(C)C |r| Show InChI InChI=1S/C44H72ClN7O7S/c1-10-30-25-44(30,39(57)49-60(58,59)50(9)24-22-45)48-36(54)32-26-43(41(7,8)42(43)20-16-21-42)27-52(32)38(56)34(40(4,5)6)47-37(55)33(29-17-12-11-13-18-29)46-35(53)31-19-14-15-23-51(31)28(2)3/h10,28-34H,1,11-27H2,2-9H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,31+,32+,33?,34-,43-,44-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300504 (CHEMBL574455 | N-({3-[(5S)-5-tert-butyl-1-[(4-fluo...) Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)cc2)C1=O)C(C)(C)C)S(N)(=O)=O |r,w:14.16| Show InChI InChI=1S/C24H27FN4O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-14-8-10-16(25)11-9-14)19-17-7-5-6-15(13-28(4)37(26,34)35)21(17)36(32,33)27-19/h5-11,22,27H,12-13H2,1-4H3,(H2,26,34,35)/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208082 (US9265773, 25) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H23F2N5O5S/c1-34-30(39)27-20-11-19(24(37(2)44(3,40)41)13-26(20)43-29(27)16-7-9-17(32)10-8-16)22-14-35-31-28(36-22)25-12-18-21(33)5-4-6-23(18)38(25)15-42-31/h4-14H,15H2,1-3H3,(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110264 (US8613914, 32 | US9206232, 32) Show SMILES CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C1CCCCC1)C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C47H75N7O7S/c1-7-32-28-47(32,42(59)51-62(60,61)52-25-15-16-26-52)50-39(56)35-29-46(44(5,6)45(46)23-17-24-45)30-54(35)41(58)37(43(2,3)4)49-40(57)36(31-18-9-8-10-19-31)48-38(55)34-22-13-14-27-53(34)33-20-11-12-21-33/h7,31-37H,1,8-30H2,2-6H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t32-,34+,35+,36+,37-,46-,47-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208062 (US9265773, 5) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)27-20-11-19(23(37(2)44(3,40)41)13-25(20)43-29(27)16-7-9-17(32)10-8-16)30-35-14-26-28(36-30)24-12-18-21(33)5-4-6-22(18)38(24)15-42-26/h4-14H,15H2,1-3H3,(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110277 (US8613914, 45 | US9206232, 45) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CC[C@@H](F)C1)C(C)(C)[C@]21CCC1)C(C)(C)C |r| Show InChI InChI=1S/C45H72FN7O7S/c1-9-30-24-45(30,40(58)50-61(59,60)51-23-19-31(46)26-51)49-37(55)33-25-44(42(7,8)43(44)20-15-21-43)27-53(33)39(57)35(41(4,5)6)48-38(56)34(29-16-11-10-12-17-29)47-36(54)32-18-13-14-22-52(32)28(2)3/h9,28-35H,1,10-27H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t30-,31-,32+,33+,34+,35-,44-,45-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208087 (US9265773, 30) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)c(F)ccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)26-19-10-18(22(38(2)45(3,41)42)12-24(19)44-29(26)15-4-6-16(32)7-5-15)30-36-13-25-28(37-30)23-11-17-21(39(23)14-43-25)9-8-20(33)27(17)34/h4-13H,14H2,1-3H3,(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110294 (US8613914, 62 | US9206232, 62) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C44H73N7O7S/c1-11-30-25-44(30,39(56)48-59(57,58)49(12-2)13-3)47-36(53)32-26-43(41(9,10)42(43)22-18-23-42)27-51(32)38(55)34(40(6,7)8)46-37(54)33(29-19-15-14-16-20-29)45-35(52)31-21-17-24-50(31)28(4)5/h11,28-34H,1,12-27H2,2-10H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t30-,31+,32+,33+,34-,43-,44-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110383 (US8613914, 157 | US9206232, 157) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1(C)CCOCC1)C1(C)CCCCC1)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C46H75N7O8S/c1-9-31-28-46(31,40(58)50-62(59,60)52(11-3)12-4)49-37(55)33-29-45(41(5,6)44(45)21-17-22-44)30-53(33)39(57)35(42(7)19-14-13-15-20-42)48-38(56)34(43(8)23-26-61-27-24-43)47-36(54)32-18-16-25-51(32)10-2/h9,31-35H,1,10-30H2,2-8H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,32+,33+,34-,35-,45-,46-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110378 (US8613914, 152 | US9206232, 152) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C48H79N7O8S/c1-10-33-29-48(33,42(60)52-64(61,62)53(11-2)12-3)51-39(57)35-30-47(43(6,7)46(47)22-18-23-46)31-55(35)41(59)37(45(9)24-27-63-28-25-45)50-40(58)36(44(8)20-15-13-16-21-44)49-38(56)34-19-14-17-26-54(34)32(4)5/h10,32-37H,1,11-31H2,2-9H3,(H,49,56)(H,50,58)(H,51,57)(H,52,60)/t33-,34+,35+,36-,37-,47-,48-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208066 (US9265773, 9) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OC(C)n3c(cc4ccccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H26FN5O5S/c1-17-38-23-8-6-5-7-19(23)13-25(38)29-27(42-17)16-35-31(36-29)21-14-22-26(15-24(21)37(3)44(4,40)41)43-30(28(22)32(39)34-2)18-9-11-20(33)12-10-18/h5-17H,1-4H3,(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208083 (US9265773, 26) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(cccc34)C#N)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H23FN6O5S/c1-35-32(40)28-22-11-21(24(38(2)45(3,41)42)13-26(22)44-30(28)17-7-9-19(33)10-8-17)31-36-15-27-29(37-31)25-12-20-18(14-34)5-4-6-23(20)39(25)16-43-27/h4-13,15H,16H2,1-3H3,(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208146 (US9265773, 89 | US9265773, 90) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(F)cccc4n3C(CO)Oc2cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H26F2N4O6S/c1-36-33(41)31-22-11-20(26(38(2)46(3,42)43)14-28(22)45-32(31)17-7-9-18(34)10-8-17)24-12-21-27-13-19-23(35)5-4-6-25(19)39(27)30(16-40)44-29(21)15-37-24/h4-15,30,40H,16H2,1-3H3,(H,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208218 (US9265773, 163) Show SMILES CNC(=O)c1c(oc2cc(N)c(cc12)-c1ccc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H20F2N4O3/c1-34-30(37)27-19-11-18(21(33)13-26(19)39-29(27)15-5-7-16(31)8-6-15)22-9-10-25-28(35-22)24-12-17-20(32)3-2-4-23(17)36(24)14-38-25/h2-13H,14,33H2,1H3,(H,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM204706 (US9243002, 50 | US9243002, 51) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CC(CO)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F Show InChI InChI=1S/C34H27F3N4O5S/c1-38-34(43)31-23-13-22(28(40(2)47(3,44)45)15-30(23)46-33(31)20-9-8-18(35)12-25(20)37)26-10-7-17-11-19(16-42)41-27-6-4-5-24(36)21(27)14-29(41)32(17)39-26/h4-10,12-15,19,42H,11,16H2,1-3H3,(H,38,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208204 (US9265773, 149) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1F Show InChI InChI=1S/C31H22F3N5O5S/c1-35-31(40)27-19-10-18(23(38(2)45(3,41)42)12-25(19)44-29(27)16-8-7-15(32)9-21(16)34)30-36-13-26-28(37-30)24-11-17-20(33)5-4-6-22(17)39(24)14-43-26/h4-13H,14H2,1-3H3,(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110295 (US8613914, 63 | US9206232, 63) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C43H71N7O7S/c1-10-29-25-43(29,38(55)47-58(56,57)49(12-3)13-4)46-35(52)31-26-42(40(8,9)41(42)22-18-23-41)27-50(31)37(54)33(39(5,6)7)45-36(53)32(28-19-15-14-16-20-28)44-34(51)30-21-17-24-48(30)11-2/h10,28-33H,1,11-27H2,2-9H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208104 (US9265773, 47) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(nccc34)C#N)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H23FN6O5S/c1-35-32(40)29-21-12-19(25(38(2)45(3,41)42)14-28(21)44-31(29)17-4-6-18(33)7-5-17)22-8-9-27-30(37-22)26-13-20-23(15-34)36-11-10-24(20)39(26)16-43-27/h4-14H,16H2,1-3H3,(H,35,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208248 (US9265773, 193) Show SMILES CNC(=O)c1c(oc2cc(N(CCF)S(C)(=O)=O)c(cc12)-c1ncc2OCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H24F3N5O5S/c1-36-32(41)28-21-12-20(31-37-15-27-29(38-31)25-13-19-22(35)4-3-5-23(19)39(25)16-44-27)24(40(11-10-33)46(2,42)43)14-26(21)45-30(28)17-6-8-18(34)9-7-17/h3-9,12-15H,10-11,16H2,1-2H3,(H,36,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110382 (US8613914, 156 | US9206232, 156) Show SMILES CCN(CCF)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)[C@]21CCC1 |r| Show InChI InChI=1S/C45H74FN7O7S/c1-10-31-26-45(31,40(58)50-61(59,60)51(11-2)25-23-46)49-37(55)33-27-44(42(8,9)43(44)21-17-22-43)28-53(33)39(57)35(41(5,6)7)48-38(56)34(30-18-13-12-14-19-30)47-36(54)32-20-15-16-24-52(32)29(3)4/h10,29-35H,1,11-28H2,2-9H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t31-,32+,33+,34+,35-,44-,45-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110287 (US8613914, 55 | US9206232, 55) Show SMILES CON(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C43H71N7O8S/c1-11-29-24-43(29,38(55)47-59(56,57)48(9)58-10)46-35(52)31-25-42(40(7,8)41(42)21-17-22-41)26-50(31)37(54)33(39(4,5)6)45-36(53)32(28-18-13-12-14-19-28)44-34(51)30-20-15-16-23-49(30)27(2)3/h11,27-33H,1,12-26H2,2-10H3,(H,44,51)(H,45,53)(H,46,52)(H,47,55)/t29-,30+,31+,32+,33-,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208091 (US9265773, 34) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cnc2OCn3c(cc4c(F)cccc34)-c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H24F2N4O5S/c1-35-31(39)29-23-12-20(26(37(2)44(3,40)41)14-28(23)43-30(29)17-7-9-19(33)10-8-17)18-11-22-27-13-21-24(34)5-4-6-25(21)38(27)16-42-32(22)36-15-18/h4-15H,16H2,1-3H3,(H,35,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110360 (US8613914, 128 | US9206232, 128) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1)C(C)(C)C |r| Show InChI InChI=1S/C45H73N7O8S/c1-10-30-26-45(30,39(57)49-61(58,59)50-21-13-14-22-50)48-36(54)32-27-44(41(7,8)43(44)17-15-18-43)28-52(32)38(56)34(42(9)19-24-60-25-20-42)47-37(55)33(40(4,5)6)46-35(53)31-16-11-12-23-51(31)29(2)3/h10,29-34H,1,11-28H2,2-9H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t30-,31+,32+,33-,34-,44-,45-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110354 (US8613914, 122 | US9206232, 122) Show SMILES CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C42H71N7O7S/c1-13-28-23-42(28,37(54)46-57(55,56)47(14-2)15-3)45-34(51)30-24-41(39(11,12)40(41)20-18-21-40)25-49(30)36(53)32(38(8,9)10)44-35(52)31(26(4)5)43-33(50)29-19-16-17-22-48(29)27(6)7/h13,26-32H,1,14-25H2,2-12H3,(H,43,50)(H,44,52)(H,45,51)(H,46,54)/t28-,29+,30+,31+,32-,41-,42-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110344 (US8613914, 112 | US9206232, 112) Show SMILES CCCN(C)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1 |r| Show InChI InChI=1S/C45H75N7O7S/c1-11-24-50(10)60(58,59)49-40(57)45(26-31(45)12-2)48-37(54)33-27-44(42(8,9)43(44)22-18-23-43)28-52(33)39(56)35(41(5,6)7)47-38(55)34(30-19-14-13-15-20-30)46-36(53)32-21-16-17-25-51(32)29(3)4/h12,29-35H,2,11,13-28H2,1,3-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208162 (US9265773, 105 | US9265773, 106) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OC(C(N)=O)n3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H25F2N5O6S/c1-37-32(42)28-20-13-19(24(39(2)47(3,43)44)15-27(20)45-30(28)16-7-9-17(34)10-8-16)22-11-12-26-29(38-22)25-14-18-21(35)5-4-6-23(18)40(25)33(46-26)31(36)41/h4-15,33H,1-3H3,(H2,36,41)(H,37,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM204785 (US9243002, 83 | US9243002, 86) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c4cccc(C#N)c4cc3c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H24FN5O4S/c1-37-34(41)31-25-15-24(28(39(2)45(3,42)43)17-30(25)44-33(31)20-7-10-22(35)11-8-20)26-12-9-19-13-14-40-27-6-4-5-21(18-36)23(27)16-29(40)32(19)38-26/h4-17H,1-3H3,(H,37,41)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays ...				US Patent US9243002 (2016) BindingDB Entry DOI: 10.7270/Q2P55MBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM110356 (US8613914, 124 | US9206232, 124) Show SMILES CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CCCC1)C(C)(C)C21CCC1)C1(C)CCOCC1 |r| Show InChI InChI=1S/C47H75N7O8S/c1-7-33-28-47(33,42(59)51-63(60,61)52-23-13-14-24-52)50-39(56)35-29-46(43(4,5)45(46)19-15-20-45)30-54(35)41(58)37(44(6)21-26-62-27-22-44)49-40(57)36(32-16-9-8-10-17-32)48-38(55)34-18-11-12-25-53(34)31(2)3/h7,31-37H,1,8-30H2,2-6H3,(H,48,55)(H,49,57)(H,50,56)(H,51,59)/t33-,34+,35+,36+,37-,46-,47-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length ...				US Patent US9206232 (2015) BindingDB Entry DOI: 10.7270/Q2M0447H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208103 (US9265773, 46) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCn3c(cc4c(F)cncc34)-c2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H23F2N5O5S/c1-34-31(39)28-20-10-19(23(37(2)44(3,40)41)12-27(20)43-30(28)16-4-6-17(32)7-5-16)22-8-9-26-29(36-22)24-11-18-21(33)13-35-14-25(18)38(24)15-42-26/h4-14H,15H2,1-3H3,(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM208164 (US9265773, 107 | US9265773, 108) Show SMILES CCNC(=O)C1Oc2ccc(nc2-c2cc3c(F)cccc3n12)-c1cc2c(C(=O)NC)c(oc2cc1N(C)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C35H29F2N5O6S/c1-5-39-34(44)35-42-25-8-6-7-23(37)20(25)16-27(42)31-28(48-35)14-13-24(40-31)21-15-22-29(17-26(21)41(3)49(4,45)46)47-32(30(22)33(43)38-2)18-9-11-19(36)12-10-18/h6-17,35H,5H2,1-4H3,(H,38,43)(H,39,44)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD Italia S.R.L. US Patent					Assay Description Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or m...				US Patent US9265773 (2016) BindingDB Entry DOI: 10.7270/Q2XD10H7
					More data for this Ligand-Target Pair

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