Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'marchetti' and Initial = 'a'   

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/Non-structural protein 4A (Hepatitis C virus)	BDBM50150997 (4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1csc(NC(C)C)n1 Show InChI InChI=1S/C44H53F4N7O9S/c1-21(2)19-63-44(61)54-38(22(3)4)41(58)55-18-26(64-36-16-32(34-20-65-43(53-34)50-23(5)6)51-31-14-25(62-7)8-9-28(31)36)15-35(55)40(57)52-33(17-37(47)48)39(56)49-11-10-27-29(45)12-24(42(59)60)13-30(27)46/h8-9,12-14,16,20-23,26,33,35,37-38H,10-11,15,17-19H2,1-7H3,(H,49,56)(H,50,53)(H,52,57)(H,54,61)(H,59,60)/t26-,33+,35+,38+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150993 (4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbo...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)C(NC(=O)OCC(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C45H51F4N5O9/c1-24(2)23-62-44(60)53-39(45(3,4)5)42(57)54-22-28(63-37-20-33(25-10-8-7-9-11-25)51-34-18-27(61-6)12-13-30(34)37)19-36(54)41(56)52-35(21-38(48)49)40(55)50-15-14-29-31(46)16-26(43(58)59)17-32(29)47/h7-13,16-18,20,24,28,35-36,38-39H,14-15,19,21-23H2,1-6H3,(H,50,55)(H,52,56)(H,53,60)(H,58,59)/t28-,35+,36+,39?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150992 (CHEMBL366279 | {(S)-1-[(2S,4S)-4-Cyclohexyl-2-((S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)-c1nnn[nH]1)C1CCCCC1 Show InChI InChI=1S/C34H48F4N8O5/c1-18(2)17-51-34(50)41-29(19(3)4)33(49)46-16-22(20-8-6-5-7-9-20)14-27(46)32(48)40-26(15-28(37)38)31(47)39-11-10-23-24(35)12-21(13-25(23)36)30-42-44-45-43-30/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,47)(H,40,48)(H,41,50)(H,42,43,44,45)/t22-,26+,27+,29+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150991 (2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)ccc(OC(C)C(O)=O)c1F)C1CCCCC1 Show InChI InChI=1S/C36H52F4N4O8/c1-19(2)18-51-36(50)43-31(20(3)4)34(47)44-17-23(22-9-7-6-8-10-22)15-27(44)33(46)42-26(16-29(38)39)32(45)41-14-13-24-25(37)11-12-28(30(24)40)52-21(5)35(48)49/h11-12,19-23,26-27,29,31H,6-10,13-18H2,1-5H3,(H,41,45)(H,42,46)(H,43,50)(H,48,49)/t21?,23-,26+,27+,31+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150989 (CHEMBL362406 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)ccc(OCC(O)=O)c1F)C1CCCCC1 Show InChI InChI=1S/C35H50F4N4O8/c1-19(2)17-51-35(49)42-31(20(3)4)34(48)43-16-22(21-8-6-5-7-9-21)14-26(43)33(47)41-25(15-28(37)38)32(46)40-13-12-23-24(36)10-11-27(30(23)39)50-18-29(44)45/h10-11,19-22,25-26,28,31H,5-9,12-18H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t22-,25+,26+,31+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150986 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cc(C=CC(O)=O)ccc1F)c1ccccc1 |w:36.37| Show InChI InChI=1S/C36H45F3N4O7/c1-21(2)20-50-36(49)42-32(22(3)4)35(48)43-19-26(24-8-6-5-7-9-24)17-29(43)34(47)41-28(18-30(38)39)33(46)40-15-14-25-16-23(10-12-27(25)37)11-13-31(44)45/h5-13,16,21-22,26,28-30,32H,14-15,17-20H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t26-,28+,29+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150990 (4-[2-((S)-2-{[(R)-4-Cyclohexyl-1-((S)-2-isobutoxyc...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)C1CCCCC1 Show InChI InChI=1S/C34H48F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22?,26-,27?,29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150984 (4-(2-{(S)-4,4-Difluoro-2-[(S)-2-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O Show InChI InChI=1S/C29H42F4N4O7/c1-14(2)9-21(36-27(40)24(16(5)6)37-29(43)44-13-15(3)4)26(39)35-22(12-23(32)33)25(38)34-8-7-18-19(30)10-17(28(41)42)11-20(18)31/h10-11,14-16,21-24H,7-9,12-13H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,43)(H,41,42)/t21-,22-,24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150994 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(C=CC(O)=O)c1F)c1ccccc1 |w:38.39| Show InChI InChI=1S/C36H45F3N4O7/c1-21(2)20-50-36(49)42-32(22(3)4)35(48)43-19-26(23-9-6-5-7-10-23)17-28(43)34(47)41-27(18-29(37)38)33(46)40-16-15-25-12-8-11-24(31(25)39)13-14-30(44)45/h5-14,21-22,26-29,32H,15-20H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t26-,27+,28+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150995 (CHEMBL263183 | [(S)-1-((2S,4S)-4-Cyclohexyl-2-{(S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(=O)NS(C)(=O)=O)C1CCCCC1 Show InChI InChI=1S/C35H51F4N5O8S/c1-19(2)18-52-35(49)42-30(20(3)4)34(48)44-17-23(21-9-7-6-8-10-21)15-28(44)33(47)41-27(16-29(38)39)32(46)40-12-11-24-25(36)13-22(14-26(24)37)31(45)43-53(5,50)51/h13-14,19-21,23,27-30H,6-12,15-18H2,1-5H3,(H,40,46)(H,41,47)(H,42,49)(H,43,45)/t23-,27+,28?,30+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50144349 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C34H42F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h5-9,12-13,18-19,22,26-29H,10-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22-,26+,27+,29+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150983 (2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...) Show SMILES CCC(Nc1cccc(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C2CCCCC2)c1)C(O)=O Show InChI InChI=1S/C37H57F2N5O7/c1-6-28(36(48)49)41-27-14-10-11-24(17-27)15-16-40-33(45)29(19-31(38)39)42-34(46)30-18-26(25-12-8-7-9-13-25)20-44(30)35(47)32(23(4)5)43-37(50)51-21-22(2)3/h10-11,14,17,22-23,25-26,28-32,41H,6-9,12-13,15-16,18-21H2,1-5H3,(H,40,45)(H,42,46)(H,43,50)(H,48,49)/t26-,28?,29+,30+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150996 (CHEMBL181465 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(NC(C(O)=O)c2ccccc2)c1)C1CCCCC1 Show InChI InChI=1S/C41H57F2N5O7/c1-25(2)24-55-41(54)47-35(26(3)4)39(51)48-23-30(28-13-7-5-8-14-28)21-33(48)38(50)46-32(22-34(42)43)37(49)44-19-18-27-12-11-17-31(20-27)45-36(40(52)53)29-15-9-6-10-16-29/h6,9-12,15-17,20,25-26,28,30,32-36,45H,5,7-8,13-14,18-19,21-24H2,1-4H3,(H,44,49)(H,46,50)(H,47,54)(H,52,53)/t30-,32+,33+,35+,36?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150985 (CHEMBL362404 | {3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(OC(C(O)=O)c2ccccc2)c1)c1ccccc1 Show InChI InChI=1S/C41H50F2N4O8/c1-25(2)24-54-41(53)46-35(26(3)4)39(50)47-23-30(28-13-7-5-8-14-28)21-33(47)38(49)45-32(22-34(42)43)37(48)44-19-18-27-12-11-17-31(20-27)55-36(40(51)52)29-15-9-6-10-16-29/h5-17,20,25-26,30,32-36H,18-19,21-24H2,1-4H3,(H,44,48)(H,45,49)(H,46,53)(H,51,52)/t30-,32+,33+,35+,36?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50144357 (3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22-,24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150988 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(C=CC(O)=O)c1)c1ccccc1 |w:38.39| Show InChI InChI=1S/C36H46F2N4O7/c1-22(2)21-49-36(48)41-32(23(3)4)35(47)42-20-27(26-11-6-5-7-12-26)18-29(42)34(46)40-28(19-30(37)38)33(45)39-16-15-25-10-8-9-24(17-25)13-14-31(43)44/h5-14,17,22-23,27-30,32H,15-16,18-21H2,1-4H3,(H,39,45)(H,40,46)(H,41,48)(H,43,44)/t27-,28+,29+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150987 (4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F4N4O8/c1-19(2)17-51-35(49)42-30(20(3)4)33(46)43-16-23(50-18-21-8-6-5-7-9-21)14-28(43)32(45)41-27(15-29(38)39)31(44)40-11-10-24-25(36)12-22(34(47)48)13-26(24)37/h5-9,12-13,19-20,23,27-30H,10-11,14-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,49)(H,47,48)/t23?,27-,28?,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150987 (4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F4N4O8/c1-19(2)17-51-35(49)42-30(20(3)4)33(46)43-16-23(50-18-21-8-6-5-7-9-21)14-28(43)32(45)41-27(15-29(38)39)31(44)40-11-10-24-25(36)12-22(34(47)48)13-26(24)37/h5-9,12-13,19-20,23,27-30H,10-11,14-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,49)(H,47,48)/t23?,27-,28?,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144349 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C34H42F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h5-9,12-13,18-19,22,26-29H,10-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22-,26+,27+,29+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144357 (3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50120648 ((S)-5,5-Difluoro-3-[(S)-2-((R)-2-hydroxy-2-phenyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C19H24F2N2O6/c1-10(2)8-13(23-18(27)15(24)11-6-4-3-5-7-11)17(26)22-12(9-14(20)21)16(25)19(28)29/h3-7,10,12-15,24H,8-9H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)/t12-,13-,15+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144360 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4R)-1-(2-hydroxy-3-...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCCCc1ccccc1 Show InChI InChI=1S/C32H39F4N3O7/c1-18(2)28(40)31(43)39-17-21(46-12-6-9-19-7-4-3-5-8-19)15-26(39)30(42)38-25(16-27(35)36)29(41)37-11-10-22-23(33)13-20(32(44)45)14-24(22)34/h3-5,7-8,13-14,18,21,25-28,40H,6,9-12,15-17H2,1-2H3,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144362 (4-[2-((S)-2-{[(2S,4R)-4-((S)-4-Bromo-benzyloxy)-1-...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccc(Br)cc1 Show InChI InChI=1S/C30H34BrF4N3O7/c1-15(2)26(39)29(42)38-13-19(45-14-16-3-5-18(31)6-4-16)11-24(38)28(41)37-23(12-25(34)35)27(40)36-8-7-20-21(32)9-17(30(43)44)10-22(20)33/h3-6,9-10,15,19,23-26,39H,7-8,11-14H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t19-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144351 (4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-2-hydroxy-a...) Show SMILES O[C@@H](C1CCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H35F4N3O6/c32-22-12-19(31(43)44)13-23(33)21(22)10-11-36-28(40)24(15-26(34)35)37-29(41)25-14-20(17-6-2-1-3-7-17)16-38(25)30(42)27(39)18-8-4-5-9-18/h1-3,6-7,12-13,18,20,24-27,39H,4-5,8-11,14-16H2,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144354 (4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclohexyl-2-hydroxy-ac...) Show SMILES O[C@@H](C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C32H37F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1,3-4,7-8,13-14,19,21,25-28,40H,2,5-6,9-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144356 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O6/c1-15(2)25(37)28(40)36-14-18(16-6-4-3-5-7-16)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-17(29(41)42)11-21(19)31/h3-7,10-11,15,18,22-25,37H,8-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144358 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3,...) Show SMILES CC(C)(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C30H35F4N3O6/c1-30(2,3)25(38)28(41)37-15-18(16-7-5-4-6-8-16)13-23(37)27(40)36-22(14-24(33)34)26(39)35-10-9-19-20(31)11-17(29(42)43)12-21(19)32/h4-8,11-12,18,22-25,38H,9-10,13-15H2,1-3H3,(H,35,39)(H,36,40)(H,42,43)/t18-,22+,23+,25-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144363 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4R)-1-(2-hydroxy-3-...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C30H35F4N3O7/c1-16(2)26(38)29(41)37-14-19(44-15-17-6-4-3-5-7-17)12-24(37)28(40)36-23(13-25(33)34)27(39)35-9-8-20-21(31)10-18(30(42)43)11-22(20)32/h3-7,10-11,16,19,23-26,38H,8-9,12-15H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t19-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144348 (4-[2-((S)-2-{[(2S,4R)-4-((S)-Cyclohexyloxy)-1-(2-h...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OC1CCCCC1 Show InChI InChI=1S/C29H39F4N3O7/c1-15(2)25(37)28(40)36-14-18(43-17-6-4-3-5-7-17)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-16(29(41)42)11-21(19)31/h10-11,15,17-18,22-25,37H,3-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144366 (4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-acetyl)-4-p...) Show SMILES OC(=O)c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)CC2CCCC2)c2ccccc2)c(F)c1 Show InChI InChI=1S/C31H35F4N3O5/c32-23-13-20(31(42)43)14-24(33)22(23)10-11-36-29(40)25(16-27(34)35)37-30(41)26-15-21(19-8-2-1-3-9-19)17-38(26)28(39)12-18-6-4-5-7-18/h1-3,8-9,13-14,18,21,25-27H,4-7,10-12,15-17H2,(H,36,40)(H,37,41)(H,42,43)/t21-,25+,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144359 (4-[2-((S)-2-{[(2S,4S)-1-(3-Ethyl-2-hydroxy-pentano...) Show SMILES CCC(CC)C(O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H37F4N3O6/c1-3-17(4-2)27(39)30(42)38-16-20(18-8-6-5-7-9-18)14-25(38)29(41)37-24(15-26(34)35)28(40)36-11-10-21-22(32)12-19(31(43)44)13-23(21)33/h5-9,12-13,17,20,24-27,39H,3-4,10-11,14-16H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144352 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(3-methyl-but...) Show SMILES CC(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O5/c1-16(2)10-26(37)36-15-19(17-6-4-3-5-7-17)13-24(36)28(39)35-23(14-25(32)33)27(38)34-9-8-20-21(30)11-18(29(40)41)12-22(20)31/h3-7,11-12,16,19,23-25H,8-10,13-15H2,1-2H3,(H,34,38)(H,35,39)(H,40,41)/t19-,23+,24+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144364 (4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopentyl-2-hydroxy-a...) Show SMILES O[C@H](C1CCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H35F4N3O6/c32-22-12-19(31(43)44)13-23(33)21(22)10-11-36-28(40)24(15-26(34)35)37-29(41)25-14-20(17-6-2-1-3-7-17)16-38(25)30(42)27(39)18-8-4-5-9-18/h1-3,6-7,12-13,18,20,24-27,39H,4-5,8-11,14-16H2,(H,36,40)(H,37,41)(H,43,44)/t20-,24+,25+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144350 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-2-...) Show SMILES O[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H31F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1-10,13-14,21,25-28,40H,11-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144365 (4-[2-((S)-2-{[(2S,4S)-1-(2-Cyclopropyl-2-hydroxy-a...) Show SMILES OC(C1CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H31F4N3O6/c30-20-10-17(29(41)42)11-21(31)19(20)8-9-34-26(38)22(13-24(32)33)35-27(39)23-12-18(15-4-2-1-3-5-15)14-36(23)28(40)25(37)16-6-7-16/h1-5,10-11,16,18,22-25,37H,6-9,12-14H2,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144361 (4-[2-((S)-2-{[(2S,4R)-4-((S)-2-Chloro-benzyloxy)-1...) Show SMILES CC(C)[C@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1Cl Show InChI InChI=1S/C30H34ClF4N3O7/c1-15(2)26(39)29(42)38-13-18(45-14-16-5-3-4-6-20(16)31)11-24(38)28(41)37-23(12-25(34)35)27(40)36-8-7-19-21(32)9-17(30(43)44)10-22(19)33/h3-6,9-10,15,18,23-26,39H,7-8,11-14H2,1-2H3,(H,36,40)(H,37,41)(H,43,44)/t18-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144355 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-2-...) Show SMILES O[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H31F4N3O6/c33-23-13-20(32(44)45)14-24(34)22(23)11-12-37-29(41)25(16-27(35)36)38-30(42)26-15-21(18-7-3-1-4-8-18)17-39(26)31(43)28(40)19-9-5-2-6-10-19/h1-10,13-14,21,25-28,40H,11-12,15-17H2,(H,37,41)(H,38,42)(H,44,45)/t21-,25+,26+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144353 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...) Show SMILES CC(C)[C@@H](O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C29H33F4N3O6/c1-15(2)25(37)28(40)36-14-18(16-6-4-3-5-7-16)12-23(36)27(39)35-22(13-24(32)33)26(38)34-9-8-19-20(30)10-17(29(41)42)11-21(19)31/h3-7,10-11,15,18,22-25,37H,8-9,12-14H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t18-,22+,23+,25-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50144367 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-hydroxy-3-...) Show SMILES OC(Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H33F4N3O6/c34-24-14-21(33(45)46)15-25(35)23(24)11-12-38-30(42)26(17-29(36)37)39-31(43)27-16-22(20-9-5-2-6-10-20)18-40(27)32(44)28(41)13-19-7-3-1-4-8-19/h1-10,14-15,22,26-29,41H,11-13,16-18H2,(H,38,42)(H,39,43)(H,45,46)/t22-,26+,27+,28?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro.				Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH
					More data for this Ligand-Target Pair