Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'surleraux' and Initial = 'dl'   

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)	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 (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 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)	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)	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)	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)	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)	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)	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)	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
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
Integrase (Human immunodeficiency virus 1)	BDBM50410311 (CHEMBL2068731) Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C([O-])=O Show InChI InChI=1S/C20H19O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11-13H,10H2,1-2H3,(H,23,24)/q-1/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Integrase (Human immunodeficiency virus 1)	BDBM50422732 (CHEMBL424782) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-2-1-7(5-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422734 (CHEMBL368301) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1Cl Show InChI InChI=1S/C17H9ClFN3O4/c18-8-5-7(1-2-9(8)19)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422722 (CHEMBL360752) Show SMILES Clc1cc(Cl)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9Cl2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422731 (CHEMBL425516) Show SMILES Brc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10BrN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422706 (CHEMBL367104) Show SMILES Clc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422718 (CHEMBL177640) Show SMILES Cc1ccc2c(O)c3C(=O)N(Cc4cccc(Br)c4)C(=O)c3c(O)c2n1 Show InChI InChI=1S/C19H13BrN2O4/c1-9-5-6-12-15(21-9)17(24)14-13(16(12)23)18(25)22(19(14)26)8-10-3-2-4-11(20)7-10/h2-7,23-24H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422733 (CHEMBL414654) Show SMILES Fc1ccc(Br)cc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-1-2-9(19)7(5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422697 (CHEMBL362252) Show SMILES Fc1cc(F)cc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H9F2N3O4/c18-8-3-7(4-9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-1-2-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422703 (CHEMBL366982) Show SMILES Oc1c2C(=O)N(Cc3cccc(Br)c3)C(=O)c2c(O)c2ncccc12 Show InChI InChI=1S/C18H11BrN2O4/c19-10-4-1-3-9(7-10)8-21-17(24)12-13(18(21)25)16(23)14-11(15(12)22)5-2-6-20-14/h1-7,22-23H,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422711 (CHEMBL360274) Show SMILES Fc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422699 (CHEMBL369841) Show SMILES Clc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C17H10ClN3O4/c18-9-3-1-8(2-4-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422721 (CHEMBL177622) Show SMILES FC(F)(F)c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C18H10F3N3O4/c19-18(20,21)9-3-1-2-8(6-9)7-24-16(27)10-11(17(24)28)15(26)13-12(14(10)25)22-4-5-23-13/h1-6,22-23H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422704 (CHEMBL177215) Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c(OC)c1 Show InChI InChI=1S/C19H15N3O6/c1-27-10-4-3-9(11(7-10)28-2)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422700 (CHEMBL177515) Show SMILES COc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1OC Show InChI InChI=1S/C19H15N3O6/c1-27-10-5-3-4-9(17(10)28-2)8-22-18(25)11-12(19(22)26)16(24)14-13(15(11)23)20-6-7-21-14/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422728 (CHEMBL424780) Show SMILES Fc1cc(Br)ccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H9BrFN3O4/c18-8-2-1-7(9(19)5-8)6-22-16(25)10-11(17(22)26)15(24)13-12(14(10)23)20-3-4-21-13/h1-5,20-21H,6H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422702 (CHEMBL174793) Show SMILES Fc1ccccc1-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C23H14FN3O4/c24-15-7-2-1-6-14(15)13-5-3-4-12(10-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-8-9-26-19/h1-10,25-26H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422724 (CHEMBL177724) Show SMILES O=c1n(Cc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H11N3O6/c22-15-11-12(16(23)14-13(15)19-3-4-20-14)18(25)21(17(11)24)6-8-1-2-9-10(5-8)27-7-26-9/h1-5,19-20H,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422696 (CHEMBL174001) Show SMILES COc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C18H13N3O5/c1-26-10-4-2-9(3-5-10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422715 (CHEMBL177690) Show SMILES Fc1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C17H10FN3O4/c18-9-3-1-2-8(6-9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-4-5-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422708 (CHEMBL177380) Show SMILES Brc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C17H10BrN3O4/c18-9-4-2-1-3-8(9)7-21-16(24)10-11(17(21)25)15(23)13-12(14(10)22)19-5-6-20-13/h1-6,19-20H,7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422698 (CHEMBL368424) Show SMILES Cc1csc(c1)-c1cccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C22H15N3O4S/c1-11-7-14(30-10-11)13-4-2-3-12(8-13)9-25-21(28)15-16(22(25)29)20(27)18-17(19(15)26)23-5-6-24-18/h2-8,10,23-24H,9H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422730 (CHEMBL177405) Show SMILES COc1ccc(OC)c(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)c1 Show InChI InChI=1S/C19H15N3O6/c1-27-10-3-4-11(28-2)9(7-10)8-22-18(25)12-13(19(22)26)17(24)15-14(16(12)23)20-5-6-21-15/h3-7,20-21H,8H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422713 (CHEMBL177311) Show SMILES COc1ccccc1Cn1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O5/c1-26-10-5-3-2-4-9(10)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	813	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422709 (CHEMBL174851) Show SMILES Fc1ccccc1-c1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C23H14FN3O4/c24-15-4-2-1-3-14(15)13-7-5-12(6-8-13)11-27-22(30)16-17(23(27)31)21(29)19-18(20(16)28)25-9-10-26-19/h1-10,25-26H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422705 (CHEMBL368509) Show SMILES C[C@H](c1ccccc1)n1c(=O)c2c(c1=O)c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C18H13N3O4/c1-9(10-5-3-2-4-6-10)21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-7-8-20-14/h2-9,19-20H,1H3/t9-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422695 (CHEMBL175404) Show SMILES O=c1n(Cc2cccc3ccccc23)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C21H13N3O4/c25-18-14-15(19(26)17-16(18)22-8-9-23-17)21(28)24(20(14)27)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,22-23H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422717 (CHEMBL175671) Show SMILES O=c1n(CCc2ccc3OCOc3c2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C19H13N3O6/c23-16-12-13(17(24)15-14(16)20-4-5-21-15)19(26)22(18(12)25)6-3-9-1-2-10-11(7-9)28-8-27-10/h1-2,4-5,7,20-21H,3,6,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422727 (CHEMBL367945) Show SMILES O=c1n(Cc2ccc(cc2)-c2ccccc2)c(=O)c2c1c(=O)c1[nH]cc[nH]c1c2=O Show InChI InChI=1S/C23H15N3O4/c27-20-16-17(21(28)19-18(20)24-10-11-25-19)23(30)26(22(16)29)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,24-25H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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
Integrase (Human immunodeficiency virus 1)	BDBM50422712 (CHEMBL177704) Show SMILES Cc1ccc(Cn2c(=O)c3c(c2=O)c(=O)c2[nH]cc[nH]c2c3=O)cc1 Show InChI InChI=1S/C18H13N3O4/c1-9-2-4-10(5-3-9)8-21-17(24)11-12(18(21)25)16(23)14-13(15(11)22)19-6-7-20-14/h2-7,19-20H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tibotec BVBA Curated by ChEMBL					Assay Description Log of 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

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