Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'surleraux' and Initial = 'd'   

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)	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)	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)	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 (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 (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 (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 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 (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 (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 (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 (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 (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023510 (CHEMBL3326826) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:47,@:7| Show InChI InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24-,30-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023579 (CHEMBL3326830) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50204832 (4-(2-(5-bromo-2-fluorophenyl)pteridin-4-ylamino)-N...) Show SMILES Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1 Show InChI InChI=1S/C25H22BrFN8O2/c26-15-4-5-18(27)16(13-15)22-33-23-21(29-9-10-30-23)24(34-22)32-19-6-8-28-14-17(19)25(37)31-7-2-12-35-11-1-3-20(35)36/h4-6,8-10,13-14H,1-3,7,11-12H2,(H,31,37)(H,28,30,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibition of TGFBR1				Bioorg Med Chem Lett 17: 1843-9 (2007) Article DOI: 10.1016/j.bmcl.2007.01.046 BindingDB Entry DOI: 10.7270/Q2JM2999
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023508 (CHEMBL3326539) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534627 (CHEMBL4527971) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534648 (CHEMBL4463284) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ncccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C27H23N2O5PS/c1-16-6-11-24(17(2)13-16)35(32,33-3)29-21-15-25(36-26(21)27(30)31)19-9-7-18(8-10-19)23-14-20-22(34-23)5-4-12-28-20/h4-15H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534659 (CHEMBL4464159) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO5PS/c1-17-8-13-25(18(2)14-17)35(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)24-15-21-6-4-5-7-23(21)34-24/h4-16H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023578 (CHEMBL3326829) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C38H48N6O7S2/c1-22(2)28-21-52-33(40-28)27-18-31(26-12-13-30(50-6)23(3)32(26)39-27)51-20-25-17-29-34(45)43(5)16-10-8-7-9-11-24-19-38(24,41-36(47)44(25)29)35(46)42-53(48,49)37(4)14-15-37/h9,11-13,18,21-22,24-25,29H,7-8,10,14-17,19-20H2,1-6H3,(H,41,47)(H,42,46)/b11-9-/t24-,25-,29-,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534649 (CHEMBL4451988) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H25N4O4PS/c1-16-5-10-23(17(2)13-16)36(34,35-4)30-22-14-24(37-26(22)27(32)33)20-8-6-19(7-9-20)21-15-25-28-18(3)11-12-31(25)29-21/h5-15H,1-4H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534627 (CHEMBL4527971) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534646 (CHEMBL4567705) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#Cc1ccsc1)c1ccc(C)cc1C Show InChI InChI=1S/C26H22NO4PS2/c1-17-4-11-23(18(2)14-17)32(30,31-3)27-22-15-24(34-25(22)26(28)29)21-9-7-19(8-10-21)5-6-20-12-13-33-16-20/h4,7-16H,1-3H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50410310 (CHEMBL2079773) Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1930-40 (2005) Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534629 (CHEMBL4444480) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534630 (CHEMBL4545438) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534647 (CHEMBL4522572) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2s1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO4PS2/c1-17-8-13-23(18(2)14-17)34(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)25-15-21-6-4-5-7-24(21)35-25/h4-16H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023509 (CHEMBL3326540) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(F)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534650 (CHEMBL4593826) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534635 (CHEMBL4464724) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C20H19ClNO4PS/c1-12-4-9-17(13(2)10-12)27(25,26-3)22-16-11-18(28-19(16)20(23)24)14-5-7-15(21)8-6-14/h4-11H,1-3H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534629 (CHEMBL4444480) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534652 (CHEMBL4471005) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4P/c1-16-5-10-23(17(2)13-16)37(35,36-4)30-25-21(26(33)34)15-32(29-25)20-8-6-19(7-9-20)22-14-24-27-18(3)11-12-31(24)28-22/h5-15H,1-4H3,(H,33,34)(H,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534655 (CHEMBL4441399) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1C Show InChI InChI=1S/C19H16Cl2NO4PS/c1-11-9-14(21)7-8-16(11)27(25,26-2)22-15-10-17(28-18(15)19(23)24)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534651 (CHEMBL4548240) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2ncccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4P/c1-16-5-10-22(17(2)13-16)36(34,35-3)29-24-20(25(32)33)15-31(28-24)19-8-6-18(7-9-19)21-14-23-26-11-4-12-30(23)27-21/h4-15H,1-3H3,(H,32,33)(H,28,29,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM35554 (thiophene scaffold, 21) Show SMILES CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:9.9,wD:6.5,(-.82,9.12,;-1.74,7.89,;-3.27,8.07,;-1.13,6.48,;.41,6.48,;1.18,5.14,;1.18,7.81,;2.71,7.87,;3.43,9.24,;2.6,10.54,;3.37,11.87,;1.06,10.47,;.35,9.11,;-2.06,5.24,;-3.6,5.26,;-4.09,3.8,;-2.86,2.88,;-1.6,3.77,;-.14,3.28,;1.02,4.29,;.16,1.77,;-5.43,3.03,;-6.76,3.8,;-8.09,3.03,;-8.09,1.49,;-6.76,.72,;-5.43,1.49,)| Show InChI InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50204832 (4-(2-(5-bromo-2-fluorophenyl)pteridin-4-ylamino)-N...) Show SMILES Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1 Show InChI InChI=1S/C25H22BrFN8O2/c26-15-4-5-18(27)16(13-15)22-33-23-21(29-9-10-30-23)24(34-22)32-19-6-8-28-14-17(19)25(37)31-7-2-12-35-11-1-3-20(35)36/h4-6,8-10,13-14H,1-3,7,11-12H2,(H,31,37)(H,28,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Inhibition of human JNK2				Bioorg Med Chem Lett 17: 1843-9 (2007) Article DOI: 10.1016/j.bmcl.2007.01.046 BindingDB Entry DOI: 10.7270/Q2JM2999
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023507 (CHEMBL3326538) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534645 (CHEMBL4563132) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#CC1CC1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24NO4PS/c1-16-4-13-22(17(2)14-16)31(29,30-3)26-21-15-23(32-24(21)25(27)28)20-11-9-19(10-12-20)8-7-18-5-6-18/h4,9-15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 160 total )  |  Next  |  Last  >>

Jump to: