Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50013851   

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)	BDBM50135430 (CHEMBL434033 | Naphthalene-2-carboxylic acid (3R,5...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCC(O)=O)C(C)C)C(C)C)OC(=O)c1ccc2ccccc2c1)C=O Show InChI InChI=1S/C36H48N4O9/c1-6-26(20-41)37-33(45)28-18-27(49-36(48)25-16-15-23-11-7-8-12-24(23)17-25)19-40(28)35(47)32(22(4)5)39-34(46)31(21(2)3)38-29(42)13-9-10-14-30(43)44/h7-8,11-12,15-17,20-22,26-28,31-32H,6,9-10,13-14,18-19H2,1-5H3,(H,37,45)(H,38,42)(H,39,46)(H,43,44)/t26-,27+,28-,31+,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135432 (CHEMBL340890 | Naphthalene-2-carboxylic acid (3R,5...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)c1ccc2ccccc2c1)C=O Show InChI InChI=1S/C35H42N6O7/c1-6-25(19-42)38-32(44)28-16-26(48-35(47)24-12-11-22-9-7-8-10-23(22)15-24)18-41(28)34(46)30(21(4)5)40-33(45)29(20(2)3)39-31(43)27-17-36-13-14-37-27/h7-15,17,19-21,25-26,28-30H,6,16,18H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t25-,26+,28-,29+,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135442 ((S)-4-Acetylamino-4-[(S)-1-((S)-1-{(S)-1-[(2S,4R)-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)OCc1ccccc1)C=O Show InChI InChI=1S/C37H54N6O12/c1-7-24(18-44)39-35(52)28-15-25(55-19-23-11-9-8-10-12-23)17-43(28)37(54)32(21(4)5)42-36(53)31(20(2)3)41-34(51)27(16-30(48)49)40-33(50)26(38-22(6)45)13-14-29(46)47/h8-12,18,20-21,24-28,31-32H,7,13-17,19H2,1-6H3,(H,38,45)(H,39,52)(H,40,50)(H,41,51)(H,42,53)(H,46,47)(H,48,49)/t24-,25+,26-,27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135437 (3,4-Dihydro-2H-quinoline-1-carboxylic acid (3R,5S)...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)N1CCCc2ccccc12)C=O Show InChI InChI=1S/C34H45N7O7/c1-6-23(19-42)37-31(44)27-16-24(48-34(47)40-15-9-11-22-10-7-8-12-26(22)40)18-41(27)33(46)29(21(4)5)39-32(45)28(20(2)3)38-30(43)25-17-35-13-14-36-25/h7-8,10,12-14,17,19-21,23-24,27-29H,6,9,11,15-16,18H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)/t23-,24+,27-,28+,29+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135429 (CHEMBL335769 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccc2ccccc2c1)C=O Show InChI InChI=1S/C35H44N6O6/c1-6-26(19-42)38-33(44)29-16-27(47-20-23-11-12-24-9-7-8-10-25(24)15-23)18-41(29)35(46)31(22(4)5)40-34(45)30(21(2)3)39-32(43)28-17-36-13-14-37-28/h7-15,17,19,21-22,26-27,29-31H,6,16,18,20H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t26-,27+,29-,30+,31+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135439 (CHEMBL128918 | Naphthalene-1-carboxylic acid (3R,5...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)c1cccc2ccccc12)C=O Show InChI InChI=1S/C35H42N6O7/c1-6-23(19-42)38-32(44)28-16-24(48-35(47)26-13-9-11-22-10-7-8-12-25(22)26)18-41(28)34(46)30(21(4)5)40-33(45)29(20(2)3)39-31(43)27-17-36-14-15-37-27/h7-15,17,19-21,23-24,28-30H,6,16,18H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t23-,24+,28-,29+,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135434 (CHEMBL339075 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)Oc1cccc2ccccc12)C=O Show InChI InChI=1S/C34H42N6O6/c1-6-23(19-41)37-32(43)27-16-24(46-28-13-9-11-22-10-7-8-12-25(22)28)18-40(27)34(45)30(21(4)5)39-33(44)29(20(2)3)38-31(42)26-17-35-14-15-36-26/h7-15,17,19-21,23-24,27,29-30H,6,16,18H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t23-,24+,27-,29+,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135441 (2-[(3R,5S)-5-((S)-1-Formyl-propylcarbamoyl)-1-((R)...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1ccccc1C(=O)OC)C=O Show InChI InChI=1S/C33H43N7O9/c1-7-20(17-41)36-29(43)25-14-21(49-33(47)37-23-11-9-8-10-22(23)32(46)48-6)16-40(25)31(45)27(19(4)5)39-30(44)26(18(2)3)38-28(42)24-15-34-12-13-35-24/h8-13,15,17-21,25-27H,7,14,16H2,1-6H3,(H,36,43)(H,37,47)(H,38,42)(H,39,44)/t20-,21+,25-,26+,27+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135440 (CHEMBL334814 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1cccc2ccccc12)C=O Show InChI InChI=1S/C35H44N6O6/c1-6-25(19-42)38-33(44)29-16-26(47-20-24-12-9-11-23-10-7-8-13-27(23)24)18-41(29)35(46)31(22(4)5)40-34(45)30(21(2)3)39-32(43)28-17-36-14-15-37-28/h7-15,17,19,21-22,25-26,29-31H,6,16,18,20H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t25-,26+,29-,30+,31+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135438 (CHEMBL339012 | Pyrazine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CC(F)(F)F)C=O)OCc1ccccc1 Show InChI InChI=1S/C31H39F3N6O6/c1-18(2)25(38-27(42)23-14-35-10-11-36-23)29(44)39-26(19(3)4)30(45)40-15-22(46-17-20-8-6-5-7-9-20)12-24(40)28(43)37-21(16-41)13-31(32,33)34/h5-11,14,16,18-19,21-22,24-26H,12-13,15,17H2,1-4H3,(H,37,43)(H,38,42)(H,39,44)/t21?,22-,24+,25+,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135443 ((2,5-Dichloro-phenyl)-carbamic acid (3R,5S)-5-((S)...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1cc(Cl)ccc1Cl)C=O Show InChI InChI=1S/C31H39Cl2N7O7/c1-6-19(15-41)36-28(43)24-12-20(47-31(46)37-22-11-18(32)7-8-21(22)33)14-40(24)30(45)26(17(4)5)39-29(44)25(16(2)3)38-27(42)23-13-34-9-10-35-23/h7-11,13,15-17,19-20,24-26H,6,12,14H2,1-5H3,(H,36,43)(H,37,46)(H,38,42)(H,39,44)/t19-,20+,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135447 (CHEMBL408494 | Pyrazine-2-carboxylic acid ((S)-1-{...) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O Show InChI InChI=1S/C32H44N6O6/c1-6-10-23(18-39)35-30(41)26-15-24(44-19-22-11-8-7-9-12-22)17-38(26)32(43)28(21(4)5)37-31(42)27(20(2)3)36-29(40)25-16-33-13-14-34-25/h7-9,11-14,16,18,20-21,23-24,26-28H,6,10,15,17,19H2,1-5H3,(H,35,41)(H,36,40)(H,37,42)/t23-,24+,26-,27-,28-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135449 (CHEMBL130397 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)Oc1ccccc1)C=O Show InChI InChI=1S/C30H40N6O6/c1-6-20(17-37)33-28(39)24-14-22(42-21-10-8-7-9-11-21)16-36(24)30(41)26(19(4)5)35-29(40)25(18(2)3)34-27(38)23-15-31-12-13-32-23/h7-13,15,17-20,22,24-26H,6,14,16H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)/t20-,22+,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135427 (Benzoic acid (3R,5S)-5-((S)-1-formyl-propylcarbamo...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)c1ccccc1)C=O Show InChI InChI=1S/C31H40N6O7/c1-6-21(17-38)34-28(40)24-14-22(44-31(43)20-10-8-7-9-11-20)16-37(24)30(42)26(19(4)5)36-29(41)25(18(2)3)35-27(39)23-15-32-12-13-33-23/h7-13,15,17-19,21-22,24-26H,6,14,16H2,1-5H3,(H,34,40)(H,35,39)(H,36,41)/t21-,22+,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135446 (CHEMBL334570 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)Oc1ccc2ccccc2c1)C=O Show InChI InChI=1S/C34H42N6O6/c1-6-24(19-41)37-32(43)28-16-26(46-25-12-11-22-9-7-8-10-23(22)15-25)18-40(28)34(45)30(21(4)5)39-33(44)29(20(2)3)38-31(42)27-17-35-13-14-36-27/h7-15,17,19-21,24,26,28-30H,6,16,18H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t24-,26+,28-,29+,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135445 ((2,5-Dimethoxy-phenyl)-carbamic acid (3R,5S)-5-((S...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1cc(OC)ccc1OC)C=O Show InChI InChI=1S/C33H45N7O9/c1-8-20(17-41)36-30(43)25-14-22(49-33(46)37-23-13-21(47-6)9-10-26(23)48-7)16-40(25)32(45)28(19(4)5)39-31(44)27(18(2)3)38-29(42)24-15-34-11-12-35-24/h9-13,15,17-20,22,25,27-28H,8,14,16H2,1-7H3,(H,36,43)(H,37,46)(H,38,42)(H,39,44)/t20-,22+,25-,27+,28+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135428 (CHEMBL407674 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O Show InChI InChI=1S/C31H42N6O6/c1-6-22(17-38)34-29(40)25-14-23(43-18-21-10-8-7-9-11-21)16-37(25)31(42)27(20(4)5)36-30(41)26(19(2)3)35-28(39)24-15-32-12-13-33-24/h7-13,15,17,19-20,22-23,25-27H,6,14,16,18H2,1-5H3,(H,34,40)(H,35,39)(H,36,41)/t22-,23+,25-,26+,27+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135444 (CHEMBL338447 | N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O Show InChI InChI=1S/C31H42N6O6/c1-6-22(17-38)34-29(40)25-14-23(43-18-21-10-8-7-9-11-21)16-37(25)31(42)27(20(4)5)36-30(41)26(19(2)3)35-28(39)24-15-32-12-13-33-24/h7-13,15,17,19-20,22-23,25-27H,6,14,16,18H2,1-5H3,(H,34,40)(H,35,39)(H,36,41)/t22-,23+,25-,26-,27-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135435 (CHEMBL446617 | Naphthalen-1-yl-carbamic acid (3R,5...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1cccc2ccccc12)C=O Show InChI InChI=1S/C35H43N7O7/c1-6-23(19-43)38-32(45)28-16-24(49-35(48)39-26-13-9-11-22-10-7-8-12-25(22)26)18-42(28)34(47)30(21(4)5)41-33(46)29(20(2)3)40-31(44)27-17-36-14-15-37-27/h7-15,17,19-21,23-24,28-30H,6,16,18H2,1-5H3,(H,38,45)(H,39,48)(H,40,44)(H,41,46)/t23-,24+,28-,29+,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135436 (CHEMBL130439 | Phenyl-carbamic acid (3R,5S)-5-((S)...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1ccccc1)C=O Show InChI InChI=1S/C31H41N7O7/c1-6-20(17-39)34-28(41)24-14-22(45-31(44)35-21-10-8-7-9-11-21)16-38(24)30(43)26(19(4)5)37-29(42)25(18(2)3)36-27(40)23-15-32-12-13-33-23/h7-13,15,17-20,22,24-26H,6,14,16H2,1-5H3,(H,34,41)(H,35,44)(H,36,40)(H,37,42)/t20-,22+,24-,25+,26+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135448 (CHEMBL130430 | Pyrazine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(C)(C)C=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N6O6/c1-19(2)25(34-27(39)23-15-32-12-13-33-23)29(41)35-26(20(3)4)30(42)37-16-22(43-17-21-10-8-7-9-11-21)14-24(37)28(40)36-31(5,6)18-38/h7-13,15,18-20,22,24-26H,14,16-17H2,1-6H3,(H,34,39)(H,35,41)(H,36,40)/t22-,24+,25+,26+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135433 (CHEMBL131367 | Pyrazine-2-carboxylic acid ((R)-1-{...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)Oc1cccc2cccnc12)C=O Show InChI InChI=1S/C33H41N7O6/c1-6-22(18-41)37-31(43)25-15-23(46-26-11-7-9-21-10-8-12-36-29(21)26)17-40(25)33(45)28(20(4)5)39-32(44)27(19(2)3)38-30(42)24-16-34-13-14-35-24/h7-14,16,18-20,22-23,25,27-28H,6,15,17H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t22-,23+,25-,27+,28+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50135431 (CHEMBL335770 | Pyrazine-2-carboxylic acid ((S)-1-{...) Show SMILES COC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O Show InChI InChI=1S/C31H42N6O7/c1-19(2)26(35-28(39)24-14-32-11-12-33-24)30(41)36-27(20(3)4)31(42)37-15-23(44-17-21-9-7-6-8-10-21)13-25(37)29(40)34-22(16-38)18-43-5/h6-12,14,16,19-20,22-23,25-27H,13,15,17-18H2,1-5H3,(H,34,40)(H,35,39)(H,36,41)/t22-,23-,25+,26+,27+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.				Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4
					More data for this Ligand-Target Pair