Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'vendeville' and Initial = 'sm'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Genome polyprotein (Hepatitis C virus)	BDBM123407 (US8741926, 91) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C37H46N6O7S2/c1-21(2)28-20-51-34(40-28)27-17-31(26-13-14-30(49-4)22(3)32(26)39-27)50-24-16-29-33(44)41-37(35(45)42-52(47,48)25-11-12-25)18-23(37)10-8-6-5-7-9-15-38-36(46)43(29)19-24/h8,10,13-14,17,20-21,23-25,29H,5-7,9,11-12,15-16,18-19H2,1-4H3,(H,38,46)(H,41,44)(H,42,45)/b10-8-/t23-,24-,29+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0500	-59.8	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123410 (US8741926, 82 | US8754106, 82 | US8754106, 91) Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM124106 (US8754106, 56) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C37H44ClN5O7S2/c1-20(2)28-19-51-34(40-28)27-17-30(24-12-13-29(49-4)31(38)32(24)39-27)50-22-15-25-26(16-22)35(45)43(3)14-8-6-5-7-9-21-18-37(21,41-33(25)44)36(46)42-52(47,48)23-10-11-23/h7,9,12-13,17,19-23,25-26H,5-6,8,10-11,14-16,18H2,1-4H3,(H,41,44)(H,42,46)/b9-7-/t21-,22-,25-,26-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236571 (US9365582, 13) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(C)c2n1 |r,c:21| Show InChI InChI=1S/C33H42N4O7S/c1-4-43-28-18-27(24-12-9-10-20(2)29(24)34-28)44-22-16-25-26(17-22)31(39)37(3)15-8-6-5-7-11-21-19-33(21,35-30(25)38)32(40)36-45(41,42)23-13-14-23/h7,9-12,18,21-23,25-26H,4-6,8,13-17,19H2,1-3H3,(H,35,38)(H,36,40)/b11-7-/t21-,22-,25-,26-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123413 (US8741926, 94 | US8754106, 94) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-33(40-26)25-16-29(24-12-13-28(49-3)30(37)31(24)39-25)50-22-15-27-32(44)41-36(34(45)42-52(47,48)23-10-11-23)17-21(36)9-7-5-4-6-8-14-38-35(46)43(27)18-22/h7,9,12-13,16,19-23,27H,4-6,8,10-11,14-15,17-18H2,1-3H3,(H,38,46)(H,41,44)(H,42,45)/b9-7-/t21-,22-,27+,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236565 (US9365582, 5) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)cc2n1 |r,c:21| Show InChI InChI=1S/C33H42N4O8S/c1-4-44-29-18-28(24-13-10-21(43-3)17-27(24)34-29)45-22-15-25-26(16-22)31(39)37(2)14-8-6-5-7-9-20-19-33(20,35-30(25)38)32(40)36-46(41,42)23-11-12-23/h7,9-10,13,17-18,20,22-23,25-26H,4-6,8,11-12,14-16,19H2,1-3H3,(H,35,38)(H,36,40)/b9-7-/t20-,22-,25-,26-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236566 (US9365582, 7) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(Br)c2n1 |r,c:21| Show InChI InChI=1S/C33H41BrN4O8S/c1-4-45-27-17-26(22-12-13-25(44-3)28(34)29(22)35-27)46-20-15-23-24(16-20)31(40)38(2)14-8-6-5-7-9-19-18-33(19,36-30(23)39)32(41)37-47(42,43)21-10-11-21/h7,9,12-13,17,19-21,23-24H,4-6,8,10-11,14-16,18H2,1-3H3,(H,36,39)(H,37,41)/b9-7-/t19-,20-,23-,24-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123413 (US8741926, 94 | US8754106, 94) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-33(40-26)25-16-29(24-12-13-28(49-3)30(37)31(24)39-25)50-22-15-27-32(44)41-36(34(45)42-52(47,48)23-10-11-23)17-21(36)9-7-5-4-6-8-14-38-35(46)43(27)18-22/h7,9,12-13,16,19-23,27H,4-6,8,10-11,14-15,17-18H2,1-3H3,(H,38,46)(H,41,44)(H,42,45)/b9-7-/t21-,22-,27+,36-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-58.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123411 (US8741926, 56) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/C3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C37H44ClN5O7S2/c1-20(2)28-19-51-34(40-28)27-17-30(24-12-13-29(49-4)31(38)32(24)39-27)50-22-15-25-26(16-22)35(45)43(3)14-8-6-5-7-9-21-18-37(21,41-33(25)44)36(46)42-52(47,48)23-10-11-23/h7,9,12-13,17,19-23,25-26H,5-6,8,10-11,14-16,18H2,1-4H3,(H,41,44)(H,42,46)/b9-7-/t21?,22-,25-,26-,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-58.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123415 (US8741926, 95 | US8754106, 95) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-33(41-26)25-17-29(24-11-12-28(50-4)30(38)31(24)40-25)51-23-16-27-32(45)42-37(34(46)43-53(48,49)36(3)13-14-36)18-22(37)10-8-6-5-7-9-15-39-35(47)44(27)19-23/h8,10-12,17,20-23,27H,5-7,9,13-16,18-19H2,1-4H3,(H,39,47)(H,42,45)(H,43,46)/b10-8-/t22-,23-,27+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	-58.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123415 (US8741926, 95 | US8754106, 95) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-33(41-26)25-17-29(24-11-12-28(50-4)30(38)31(24)40-25)51-23-16-27-32(45)42-37(34(46)43-53(48,49)36(3)13-14-36)18-22(37)10-8-6-5-7-9-15-39-35(47)44(27)19-23/h8,10-12,17,20-23,27H,5-7,9,13-16,18-19H2,1-4H3,(H,39,47)(H,42,45)(H,43,46)/b10-8-/t22-,23-,27+,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236563 (US9365582, 3) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(C)c2n1 |r,c:21| Show InChI InChI=1S/C34H44N4O8S/c1-5-45-29-18-28(24-13-14-27(44-4)20(2)30(24)35-29)46-22-16-25-26(17-22)32(40)38(3)15-9-7-6-8-10-21-19-34(21,36-31(25)39)33(41)37-47(42,43)23-11-12-23/h8,10,13-14,18,21-23,25-26H,5-7,9,11-12,15-17,19H2,1-4H3,(H,36,39)(H,37,41)/b10-8-/t21-,22-,25-,26-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236573 (US9365582, 15) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCOc3c2n1 |r,c:21| Show InChI InChI=1S/C33H40N4O9S/c1-3-43-27-16-26(22-11-12-25-29(28(22)34-27)45-18-44-25)46-20-14-23-24(15-20)31(39)37(2)13-7-5-4-6-8-19-17-33(19,35-30(23)38)32(40)36-47(41,42)21-9-10-21/h6,8,11-12,16,19-21,23-24H,3-5,7,9-10,13-15,17-18H2,1-2H3,(H,35,38)(H,36,40)/b8-6-/t19-,20-,23-,24-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123414 (US8741926, 48 | US8754106, 48) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C39H49N5O7S2/c1-22(2)30-21-52-35(41-30)29-19-32(26-12-13-31(50-6)23(3)33(26)40-29)51-25-17-27-28(18-25)36(46)44(5)16-10-8-7-9-11-24-20-39(24,42-34(27)45)37(47)43-53(48,49)38(4)14-15-38/h9,11-13,19,21-22,24-25,27-28H,7-8,10,14-18,20H2,1-6H3,(H,42,45)(H,43,47)/b11-9-/t24-,25-,27-,28-,39-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.25	-55.7	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123414 (US8741926, 48 | US8754106, 48) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C39H49N5O7S2/c1-22(2)30-21-52-35(41-30)29-19-32(26-12-13-31(50-6)23(3)33(26)40-29)51-25-17-27-28(18-25)36(46)44(5)16-10-8-7-9-11-24-20-39(24,42-34(27)45)37(47)43-53(48,49)38(4)14-15-38/h9,11-13,19,21-22,24-25,27-28H,7-8,10,14-18,20H2,1-6H3,(H,42,45)(H,43,47)/b11-9-/t24-,25-,27-,28-,39-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123412 (US8741926, 57 | US8754106, 57) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C38H46ClN5O7S2/c1-21(2)28-20-52-34(41-28)27-18-30(24-11-12-29(50-5)31(39)32(24)40-27)51-23-16-25-26(17-23)35(46)44(4)15-9-7-6-8-10-22-19-38(22,42-33(25)45)36(47)43-53(48,49)37(3)13-14-37/h8,10-12,18,20-23,25-26H,6-7,9,13-17,19H2,1-5H3,(H,42,45)(H,43,47)/b10-8-/t22-,23-,25-,26-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123412 (US8741926, 57 | US8754106, 57) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C38H46ClN5O7S2/c1-21(2)28-20-52-34(41-28)27-18-30(24-11-12-29(50-5)31(39)32(24)40-27)51-23-16-25-26(17-23)35(46)44(4)15-9-7-6-8-10-22-19-38(22,42-33(25)45)36(47)43-53(48,49)37(3)13-14-37/h8,10-12,18,20-23,25-26H,6-7,9,13-17,19H2,1-5H3,(H,42,45)(H,43,47)/b10-8-/t22-,23-,25-,26-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-55.3	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50336504 ((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236569 (US9365582, 11) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1 |r,c:21| Show InChI InChI=1S/C32H39ClN4O7S/c1-3-43-27-17-26(22-10-8-11-25(33)28(22)34-27)44-20-15-23-24(16-20)30(39)37(2)14-7-5-4-6-9-19-18-32(19,35-29(23)38)31(40)36-45(41,42)21-12-13-21/h6,8-11,17,19-21,23-24H,3-5,7,12-16,18H2,1-2H3,(H,35,38)(H,36,40)/b9-6-/t19-,20-,23-,24-,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50336504 ((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	0.5	-54.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236567 (US9365582, 9) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCCc3c2n1 |r,c:21| Show InChI InChI=1S/C34H42N4O8S/c1-3-44-29-18-28(23-11-12-27-24(13-15-45-27)30(23)35-29)46-21-16-25-26(17-21)32(40)38(2)14-7-5-4-6-8-20-19-34(20,36-31(25)39)33(41)37-47(42,43)22-9-10-22/h6,8,11-12,18,20-22,25-26H,3-5,7,9-10,13-17,19H2,1-2H3,(H,36,39)(H,37,41)/b8-6-/t20-,21-,25-,26-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123408 (US8741926, 55) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/C3C[C@]3(NC4=O)C(O)=O)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C34H39ClN4O6S/c1-18(2)25-17-46-31(37-25)24-15-27(21-10-11-26(44-4)28(35)29(21)36-24)45-20-13-22-23(14-20)32(41)39(3)12-8-6-5-7-9-19-16-34(19,33(42)43)38-30(22)40/h7,9-11,15,17-20,22-23H,5-6,8,12-14,16H2,1-4H3,(H,38,40)(H,42,43)/b9-7-/t19?,20-,22-,23-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM124105 (US8754106, 55) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22| Show InChI InChI=1S/C34H39ClN4O6S/c1-18(2)25-17-46-31(37-25)24-15-27(21-10-11-26(44-4)28(35)29(21)36-24)45-20-13-22-23(14-20)32(41)39(3)12-8-6-5-7-9-19-16-34(19,33(42)43)38-30(22)40/h7,9-11,15,17-20,22-23H,5-6,8,12-14,16H2,1-4H3,(H,38,40)(H,42,43)/b9-7-/t19-,20-,22-,23-,34-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236568 (US9365582, 10) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(Cl)c2n1 |r,c:21| Show InChI InChI=1S/C29H34ClN3O6/c1-3-38-24-15-23(19-10-8-11-22(30)25(19)31-24)39-18-13-20-21(14-18)27(35)33(2)12-7-5-4-6-9-17-16-29(17,28(36)37)32-26(20)34/h6,8-11,15,17-18,20-21H,3-5,7,12-14,16H2,1-2H3,(H,32,34)(H,36,37)/b9-6-/t17?,18-,20-,21-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.70	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123410 (US8741926, 82 | US8754106, 82 | US8754106, 91) Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.40	-46.6	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123410 (US8741926, 82 | US8754106, 82 | US8754106, 91) Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754106 (2014) BindingDB Entry DOI: 10.7270/Q2V40SWX
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236570 (US9365582, 12) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1 |r,c:21| Show InChI InChI=1S/C30H37N3O6/c1-4-38-25-16-24(21-12-9-10-18(2)26(21)31-25)39-20-14-22-23(15-20)28(35)33(3)13-8-6-5-7-11-19-17-30(19,29(36)37)32-27(22)34/h7,9-12,16,19-20,22-23H,4-6,8,13-15,17H2,1-3H3,(H,32,34)(H,36,37)/b11-7-/t19-,20-,22-,23-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236562 (US9365582, 2) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)c(C)c2n1 |r,c:21| Show InChI InChI=1S/C31H39N3O7/c1-5-40-26-16-25(21-11-12-24(39-4)18(2)27(21)32-26)41-20-14-22-23(15-20)29(36)34(3)13-9-7-6-8-10-19-17-31(19,30(37)38)33-28(22)35/h8,10-12,16,19-20,22-23H,5-7,9,13-15,17H2,1-4H3,(H,33,35)(H,37,38)/b10-8-/t19-,20-,22-,23-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236564 (US9365582, 4) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)cc2n1 |r,c:21| Show InChI InChI=1S/C30H37N3O7/c1-4-39-26-16-25(21-11-10-19(38-3)15-24(21)31-26)40-20-13-22-23(14-20)28(35)33(2)12-8-6-5-7-9-18-17-30(18,29(36)37)32-27(22)34/h7,9-11,15-16,18,20,22-23H,4-6,8,12-14,17H2,1-3H3,(H,32,34)(H,36,37)/b9-7-/t18-,20-,22-,23-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM236572 (US9365582, 14) Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc3OCOc3c2n1 |r,c:21| Show InChI InChI=1S/C30H35N3O8/c1-3-38-24-14-23(19-9-10-22-26(25(19)31-24)40-16-39-22)41-18-12-20-21(13-18)28(35)33(2)11-7-5-4-6-8-17-15-30(17,29(36)37)32-27(20)34/h6,8-10,14,17-18,20-21H,3-5,7,11-13,15-16H2,1-2H3,(H,32,34)(H,36,37)/b8-6-/t17-,18-,20-,21-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US9365582 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B5G
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM123409 (US8741926, 81) Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(O)=O)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21| Show InChI InChI=1S/C35H42N4O6S/c1-19(2)27-18-46-33(38-27)26-16-29(23-11-12-28(44-4)20(3)30(23)37-26)45-22-14-24-25(15-22)32(41)39-35(34(42)43)17-21(35)10-8-6-5-7-9-13-36-31(24)40/h8,10-12,16,18-19,21-22,24-25H,5-7,9,13-15,17H2,1-4H3,(H,36,40)(H,39,41)(H,42,43)/b10-8-/t21-,22+,24-,25-,35-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.00E+3	-34.8	n/a	n/a	n/a	n/a	n/a	7.5	30
Janssen R&D Ireland; Medivir AB US Patent					Assay Description The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...				US Patent US8741926 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XBC
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243470 (US9427440, 18) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O5S/c1-34-15-7-8-16-35(2)42(39,40)33-31(37)22-11-13-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)12-14-26(23)30(36)29(27)21-9-5-4-6-10-21/h11-14,17-19,21H,4-10,15-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243471 (US9427440, 19) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C=C(Cn4c3c2)C1=O |c:36| Show InChI InChI=1S/C31H35FN4O5S/c1-34-12-14-41-15-13-35(2)42(39,40)33-30(37)21-8-10-26-27(18-21)36-19-23(31(34)38)16-22-17-24(32)9-11-25(22)29(36)28(26)20-6-4-3-5-7-20/h8-11,16-18,20H,3-7,12-15,19H2,1-2H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243472 (US9427440, 20) Show SMILES CN1CCOCCN(C)S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4-c5ccc(F)cc5C(C)=C(Cn4c3c2)C1=O |c:37| Show InChI InChI=1S/C32H37FN4O5S/c1-20-26-18-23(33)10-12-24(26)30-29(21-7-5-4-6-8-21)25-11-9-22-17-28(25)37(30)19-27(20)32(39)35(2)13-15-42-16-14-36(3)43(40,41)34-31(22)38/h9-12,17-18,21H,4-8,13-16,19H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101334 (US8524716, 13) Show SMILES O=C1CCCN1c1ccc(N2CCOCC2)c(COc2ccc(cc2)-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCC\C=C/CS(=O)(=O)NC4=O)c1 |c:52| Show InChI InChI=1S/C43H49N5O7S/c49-39-28-48-38-27-32(43(51)45-56(52,53)25-6-2-5-19-44-39)13-17-36(38)41(30-8-3-1-4-9-30)42(48)31-11-15-35(16-12-31)55-29-33-26-34(47-20-7-10-40(47)50)14-18-37(33)46-21-23-54-24-22-46/h2,6,11-18,26-27,30H,1,3-5,7-10,19-25,28-29H2,(H,44,49)(H,45,51)/b6-2-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243468 (US9427440, 16) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=C(C)c2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |t:25| Show InChI InChI=1S/C33H40N4O6S/c1-21-27-19-24(42-4)11-13-25(27)31-30(22-8-6-5-7-9-22)26-12-10-23-18-29(26)37(31)20-28(21)33(39)35(2)14-16-43-17-15-36(3)44(40,41)34-32(23)38/h10-13,18-19,22H,5-9,14-17,20H2,1-4H3,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Janssen Sciences Ireland UC US Patent					Assay Description IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcr...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101339 (US8524716, 18) Show SMILES Cc1nc(C)c(s1)-c1ccc2cc(ccc2n1)-c1c(C2CCCCC2)c2ccc3cc2n1CC(=O)NCC\C=C/CS(=O)(=O)NC3=O |c:44| Show InChI InChI=1S/C36H37N5O4S2/c1-22-35(46-23(2)38-22)30-16-12-25-19-26(13-15-29(25)39-30)34-33(24-9-5-3-6-10-24)28-14-11-27-20-31(28)41(34)21-32(42)37-17-7-4-8-18-47(44,45)40-36(27)43/h4,8,11-16,19-20,24H,3,5-7,9-10,17-18,21H2,1-2H3,(H,37,42)(H,40,43)/b8-4-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101312 (US8524716, 19) Show SMILES CN1C\C=C/CNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(OCc2cc(ccc2N2CCN(CC2)S(C)(=O)=O)N2CCCC2=O)cc1F |c:3,(-11.97,-2.04,;-10.64,-1.27,;-9.3,-2.04,;-8.42,-3.82,;-7.08,-4.59,;-3.88,-4.59,;-2.79,-3.5,;-3.19,-2.01,;-4.68,-1.61,;-2.1,-.92,;-2.5,.57,;-1.6,1.81,;-2.5,3.06,;-2.1,4.55,;-.62,4.95,;-.22,6.43,;-1.31,7.52,;-2.79,7.12,;-3.19,5.64,;-3.97,2.58,;-5.3,3.35,;-6.63,2.58,;-6.63,1.04,;-5.3,.27,;-3.97,1.04,;-7.97,.27,;-7.97,-1.27,;-9.3,1.04,;-10.64,.27,;-11.97,1.04,;-10.64,1.81,;-.06,1.81,;.71,3.15,;2.25,3.15,;3.02,1.81,;4.56,1.81,;5.33,.48,;6.87,.48,;7.64,1.81,;9.18,1.81,;9.95,.48,;9.18,-.85,;7.64,-.85,;6.87,-2.19,;5.33,-2.19,;4.56,-3.52,;5.33,-4.85,;6.87,-4.85,;7.64,-3.52,;4.56,-6.19,;5.33,-7.52,;3.02,-6.19,;3.79,-4.85,;9.95,3.15,;11.49,3.15,;11.97,4.61,;10.72,5.52,;9.48,4.61,;8.14,5.38,;2.25,.48,;.71,.48,;-.06,-.85,)| Show InChI InChI=1S/C44H52FN7O8S2/c1-48-19-7-6-18-46-40(53)28-52-39-26-31(44(55)47-62(48,58)59)12-15-36(39)42(30-9-4-3-5-10-30)43(52)35-16-14-34(27-37(35)45)60-29-32-25-33(51-20-8-11-41(51)54)13-17-38(32)49-21-23-50(24-22-49)61(2,56)57/h6-7,12-17,25-27,30H,3-5,8-11,18-24,28-29H2,1-2H3,(H,46,53)(H,47,55)/b7-6-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101322 (US8524716, 29) Show SMILES CN1CC=CCCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O |w:4.4| Show InChI InChI=1S/C27H32N4O5S/c1-30-14-7-3-6-13-28-24(32)17-31-23-16-20(27(33)29-37(30,34)35)10-11-22(23)25(19-8-4-2-5-9-19)26(31)21-12-15-36-18-21/h3,7,10-12,15-16,18-19H,2,4-6,8-9,13-14,17H2,1H3,(H,28,32)(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101323 (US8524716, 30) Show SMILES CN1CCCCCNC(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O Show InChI InChI=1S/C27H34N4O5S/c1-30-14-7-3-6-13-28-24(32)17-31-23-16-20(27(33)29-37(30,34)35)10-11-22(23)25(19-8-4-2-5-9-19)26(31)21-12-15-36-18-21/h10-12,15-16,18-19H,2-9,13-14,17H2,1H3,(H,28,32)(H,29,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101319 (US8524716, 210 | US8524716, 26) Show SMILES COc1ccc(cc1)-c1c(C2CCCCC2)c2ccc3cc2n1CC(=O)NCCCCCN(C)S(=O)(=O)NC3=O Show InChI InChI=1S/C30H38N4O5S/c1-33-18-8-4-7-17-31-27(35)20-34-26-19-23(30(36)32-40(33,37)38)13-16-25(26)28(21-9-5-3-6-10-21)29(34)22-11-14-24(39-2)15-12-22/h11-16,19,21H,3-10,17-18,20H2,1-2H3,(H,31,35)(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101313 (US8524716, 20) Show SMILES CN1C\C=C/CCNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(Cl)cc1 |c:3| Show InChI InChI=1S/C29H33ClN4O4S/c1-33-17-7-3-6-16-31-26(35)19-34-25-18-22(29(36)32-39(33,37)38)12-15-24(25)27(20-8-4-2-5-9-20)28(34)21-10-13-23(30)14-11-21/h3,7,10-15,18,20H,2,4-6,8-9,16-17,19H2,1H3,(H,31,35)(H,32,36)/b7-3-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101318 (US8524716, 25) Show SMILES COc1ccc(cc1)-c1c(C2CCCCC2)c2ccc3cc2n1CC(=O)NCCCCN(C)S(=O)(=O)NC3=O Show InChI InChI=1S/C29H36N4O5S/c1-32-17-7-6-16-30-26(34)19-33-25-18-22(29(35)31-39(32,36)37)12-15-24(25)27(20-8-4-3-5-9-20)28(33)21-10-13-23(38-2)14-11-21/h10-15,18,20H,3-9,16-17,19H2,1-2H3,(H,30,34)(H,31,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243461 (US9427440, 13) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NC\C=C\CN(C)S(=O)(=O)NC5=O |c:25,t:35| Show InChI InChI=1S/C31H34N4O5S/c1-34-15-7-6-14-32-30(36)23-16-22-17-24(40-2)11-13-25(22)29-28(20-8-4-3-5-9-20)26-12-10-21(18-27(26)35(29)19-23)31(37)33-41(34,38)39/h6-7,10-13,16-18,20H,3-5,8-9,14-15,19H2,1-2H3,(H,32,36)(H,33,37)/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101319 (US8524716, 210 | US8524716, 26) Show SMILES COc1ccc(cc1)-c1c(C2CCCCC2)c2ccc3cc2n1CC(=O)NCCCCCN(C)S(=O)(=O)NC3=O Show InChI InChI=1S/C30H38N4O5S/c1-33-18-8-4-7-17-31-27(35)20-34-26-19-23(30(36)32-40(33,37)38)13-16-25(26)28(21-9-5-3-6-10-21)29(34)22-11-14-24(39-2)15-12-22/h11-16,19,21H,3-10,17-18,20H2,1-2H3,(H,31,35)(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101314 (US8524716, 21) Show SMILES CN1CCCCCNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H35ClN4O4S/c1-33-17-7-3-6-16-31-26(35)19-34-25-18-22(29(36)32-39(33,37)38)12-15-24(25)27(20-8-4-2-5-9-20)28(34)21-10-13-23(30)14-11-21/h10-15,18,20H,2-9,16-17,19H2,1H3,(H,31,35)(H,32,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243457 (US9427440, 11) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O |(8.09,-.74,;7,-1.83,;5.51,-1.43,;4.5,-2.59,;2.99,-2.3,;2.49,-.84,;.95,-.84,;.05,-2.09,;.44,-3.57,;-.64,-4.66,;-.25,-6.15,;1.24,-6.55,;2.33,-5.46,;1.93,-3.97,;-1.42,-1.61,;-2.75,-2.38,;-4.09,-1.61,;-4.09,-.07,;-2.75,.7,;-1.42,-.07,;.05,.41,;.46,1.96,;1.87,2.57,;3.23,3.52,;3.23,1.84,;3.5,.32,;5.01,.02,;.78,3.65,;-.71,3.26,;1.25,4.55,;-.09,5.32,;-1.42,4.55,;-2.75,5.32,;-1.21,5.32,;.25,6.55,;-4.09,4.55,;-5.42,5.32,;-6.75,4.55,;-8.09,5.32,;-6.75,3.01,;-8.09,2.24,;-5.42,3.78,;-5.42,2.24,;-5.42,.7,;-6.75,-.07,)| Show InChI InChI=1S/C34H41N5O5S/c1-36-12-13-37-14-16-38(17-15-37)33(41)34-20-28(34)27-19-24(44-2)9-11-25(27)31-30(22-6-4-3-5-7-22)26-10-8-23(18-29(26)39(31)21-34)32(40)35-45(36,42)43/h8-11,18-19,22,28H,3-7,12-17,20-21H2,1-2H3,(H,35,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein [2420-3010] (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM243456 (US9427440, 1) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N(C)CCOCCN(C)S(=O)(=O)NC5=O |c:25| Show InChI InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	25
Janssen Sciences Ireland UC US Patent					Assay Description Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synt...				US Patent US9427440 (2016) BindingDB Entry DOI: 10.7270/Q2DN43Z6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101327 (US8524716, 4) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(N)cc1COc1ccc(cc1)-c1c(C2CCCCC2)c2ccc3cc2n1CC(=O)NCC\C=C/CCNC3=O |c:52| Show InChI InChI=1S/C41H50N6O5S/c1-53(50,51)46-23-21-45(22-24-46)36-18-14-33(42)25-32(36)28-52-34-15-11-30(12-16-34)40-39(29-9-5-4-6-10-29)35-17-13-31-26-37(35)47(40)27-38(48)43-19-7-2-3-8-20-44-41(31)49/h2-3,11-18,25-26,29H,4-10,19-24,27-28,42H2,1H3,(H,43,48)(H,44,49)/b3-2-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair

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