Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50011754   

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)	BDBM50110121 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110117 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O Show InChI InChI=1S/C44H56F2N6O13/c1-25(54)47-33(23-37(59)60)43(64)49-31(18-20-36(57)58)41(62)52-39(38(27-13-7-3-8-14-27)28-15-9-4-10-16-28)44(65)50-30(17-19-35(55)56)40(61)51-32(21-26-11-5-2-6-12-26)42(63)48-29(24-53)22-34(45)46/h3-4,7-10,13-16,24,26,29-34,38-39H,2,5-6,11-12,17-23H2,1H3,(H,47,54)(H,48,63)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,55,56)(H,57,58)(H,59,60)/t29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110125 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110153 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-car...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C19H27F4N3O9/c1-19(2,3)35-18(34)26-8(4-5-13(27)28)15(30)25-10(7-12(22)23)16(31)24-9(6-11(20)21)14(29)17(32)33/h8-12H,4-7H2,1-3H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t8-,9-,10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110146 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-car...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C21H33F2N3O9/c1-10(2)8-13(18(31)24-12(9-14(22)23)16(29)19(32)33)25-17(30)11(6-7-15(27)28)26-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t11-,12-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110145 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyc...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C23H37F2N3O7/c1-12(2)10-15(19(30)26-14(11-16(24)25)18(29)21(32)33)27-20(31)17(13-8-6-7-9-13)28-22(34)35-23(3,4)5/h12-17H,6-11H2,1-5H3,(H,26,30)(H,27,31)(H,28,34)(H,32,33)/t14-,15-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110143 (4-{(S)-1-[(S)-1-((S)-3,3-Difluoro-1-oxalyl-propylc...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccc(cc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C26H35F2N3O9/c1-5-14(4)20(31-26(39)40-12-15-6-8-16(9-7-15)24(35)36)23(34)30-18(10-13(2)3)22(33)29-17(11-19(27)28)21(32)25(37)38/h6-9,13-14,17-20H,5,10-12H2,1-4H3,(H,29,33)(H,30,34)(H,31,39)(H,35,36)(H,37,38)/t14?,17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110134 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-met...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C21H35F2N3O7/c1-10(2)8-13(17(28)24-12(9-14(22)23)16(27)19(30)31)25-18(29)15(11(3)4)26-20(32)33-21(5,6)7/h10-15H,8-9H2,1-7H3,(H,24,28)(H,25,29)(H,26,32)(H,30,31)/t12-,13-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110130 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-met...) Show SMILES CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C22H37F2N3O7/c1-8-12(4)16(27-21(33)34-22(5,6)7)19(30)26-14(9-11(2)3)18(29)25-13(10-15(23)24)17(28)20(31)32/h11-16H,8-10H2,1-7H3,(H,25,29)(H,26,30)(H,27,33)(H,31,32)/t12-,13-,14-,16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110156 ((S)-3-[(S)-2-((2S,3S)-2-Benzyloxycarbonylamino-3-m...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C28H39F2N3O7/c1-3-17(2)23(33-28(39)40-16-19-12-8-5-9-13-19)26(36)32-21(14-18-10-6-4-7-11-18)25(35)31-20(15-22(29)30)24(34)27(37)38/h5,8-9,12-13,17-18,20-23H,3-4,6-7,10-11,14-16H2,1-2H3,(H,31,35)(H,32,36)(H,33,39)(H,37,38)/t17-,20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110148 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-car...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C20H31F2N3O9/c1-9(2)6-11(16(29)23-10(7-13(21)22)15(28)18(31)32)24-17(30)12(8-14(26)27)25-19(33)34-20(3,4)5/h9-13H,6-8H2,1-5H3,(H,23,29)(H,24,30)(H,25,33)(H,26,27)(H,31,32)/t10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110152 ((S)-3-[(S)-2-((2S,3S)-2-Benzyloxycarbonylamino-3-m...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110149 (4-{(S)-1-[(S)-1-((S)-3,3-Difluoro-1-oxalyl-propylc...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccc(cc1)C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C27H37F2N3O9/c1-6-15(4)21(32-27(39)41-13-16-7-9-17(10-8-16)26(38)40-5)24(35)31-19(11-14(2)3)23(34)30-18(12-20(28)29)22(33)25(36)37/h7-10,14-15,18-21H,6,11-13H2,1-5H3,(H,30,34)(H,31,35)(H,32,39)(H,36,37)/t15?,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110129 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-car...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C21H34F2N4O8/c1-10(2)8-13(18(31)25-12(9-14(22)23)16(29)19(32)33)26-17(30)11(6-7-15(24)28)27-20(34)35-21(3,4)5/h10-14H,6-9H2,1-5H3,(H2,24,28)(H,25,31)(H,26,30)(H,27,34)(H,32,33)/t11-,12-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110141 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C23H31F2N3O7/c1-4-13(3)18(28-23(34)35-12-14-9-7-6-8-10-14)21(31)26-15(5-2)20(30)27-16(11-17(24)25)19(29)22(32)33/h6-10,13,15-18H,4-5,11-12H2,1-3H3,(H,26,31)(H,27,30)(H,28,34)(H,32,33)/t13-,15-,16-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110133 (3-{(1S,2S)-2-[2-(3-Benzyl-ureido)-3-methyl-pentano...) Show SMILES CCC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C25H36F2N4O6/c1-5-15(4)20(31-25(37)28-13-16-9-7-6-8-10-16)23(34)30-18(11-14(2)3)22(33)29-17(12-19(26)27)21(32)24(35)36/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,29,33)(H,30,34)(H,35,36)(H2,28,31,37)/t15?,17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110154 ((4S,6S)-6-Acetylamino-4-[(S)-2-cyclohexyl-1-((S)-3...) Show SMILES CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)[C@H](CCC(O)=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C35H43F2N3O8/c1-21(41)38-31(30(23-13-7-3-8-14-23)24-15-9-4-10-16-24)32(44)25(17-18-29(42)43)39-27(19-22-11-5-2-6-12-22)34(46)40-26(20-28(36)37)33(45)35(47)48/h3-4,7-10,13-16,22,25-28,30-31,39H,2,5-6,11-12,17-20H2,1H3,(H,38,41)(H,40,46)(H,42,43)(H,47,48)/t25-,26-,27-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110140 ((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-propi...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C19H31F2N3O7/c1-9(2)7-12(16(27)23-11(8-13(20)21)14(25)17(28)29)24-15(26)10(3)22-18(30)31-19(4,5)6/h9-13H,7-8H2,1-6H3,(H,22,30)(H,23,27)(H,24,26)(H,28,29)/t10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110157 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C28H33F2N3O7/c1-3-17(2)23(33-28(39)40-16-19-12-8-5-9-13-19)26(36)32-21(14-18-10-6-4-7-11-18)25(35)31-20(15-22(29)30)24(34)27(37)38/h4-13,17,20-23H,3,14-16H2,1-2H3,(H,31,35)(H,32,36)(H,33,39)(H,37,38)/t17?,20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110131 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C22H29F2N3O7/c1-4-12(2)17(27-22(33)34-11-14-8-6-5-7-9-14)20(30)25-13(3)19(29)26-15(10-16(23)24)18(28)21(31)32/h5-9,12-13,15-17H,4,10-11H2,1-3H3,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t12-,13-,15-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110155 ((S)-3-[(S)-2-((S)-2-Acetylamino-3-methyl-pentanoyl...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C19H31F2N3O6/c1-6-10(4)15(22-11(5)25)18(28)24-13(7-9(2)3)17(27)23-12(8-14(20)21)16(26)19(29)30/h9-10,12-15H,6-8H2,1-5H3,(H,22,25)(H,23,27)(H,24,28)(H,29,30)/t10-,12-,13-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110142 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C24H33F2N3O7/c1-5-14(4)19(29-24(35)36-12-15-9-7-6-8-10-15)22(32)28-18(13(2)3)21(31)27-16(11-17(25)26)20(30)23(33)34/h6-10,13-14,16-19H,5,11-12H2,1-4H3,(H,27,31)(H,28,32)(H,29,35)(H,33,34)/t14?,16-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110151 ((4S,6S)-6-Acetylamino-4-[(S)-2-cyclohexyl-1-((S)-3...) Show SMILES CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)[C@H](CCC(O)=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O Show InChI InChI=1S/C34H43F2N3O6/c1-22(41)37-32(31(24-13-7-3-8-14-24)25-15-9-4-10-16-25)33(44)27(17-18-30(42)43)39-28(19-23-11-5-2-6-12-23)34(45)38-26(21-40)20-29(35)36/h3-4,7-10,13-16,21,23,26-29,31-32,39H,2,5-6,11-12,17-20H2,1H3,(H,37,41)(H,38,45)(H,42,43)/t26-,27-,28-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110147 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(O)C(O)=O Show InChI InChI=1S/C25H37F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-21,31H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15?,17-,18-,20-,21?/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110144 ((4S,6S)-6-Acetylamino-4-[(S)-1-((S)-1-carboxy-3,3-...) Show SMILES CC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)[C@H](CCC(O)=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O Show InChI InChI=1S/C34H43F2N3O7/c1-21(40)37-31(30(23-13-7-3-8-14-23)24-15-9-4-10-16-24)32(43)25(17-18-29(41)42)38-26(19-22-11-5-2-6-12-22)33(44)39-27(34(45)46)20-28(35)36/h3-4,7-10,13-16,22,25-28,30-31,38H,2,5-6,11-12,17-20H2,1H3,(H,37,40)(H,39,44)(H,41,42)(H,45,46)/t25-,26-,27-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110136 (CHEMBL2371293 | {(S)-1-[(S)-1-((S)-3,3-Difluoro-1-...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C=O Show InChI InChI=1S/C24H35F2N3O5/c1-5-16(4)21(29-24(33)34-14-17-9-7-6-8-10-17)23(32)28-19(11-15(2)3)22(31)27-18(13-30)12-20(25)26/h6-10,13,15-16,18-21H,5,11-12,14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t16-,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110135 (((S)-1-{(S)-1-[(S)-3,3-Difluoro-1-(1H-tetrazole-5-...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)c1nnn[nH]1 Show InChI InChI=1S/C25H35F2N7O5/c1-5-15(4)20(30-25(38)39-13-16-9-7-6-8-10-16)24(37)29-18(11-14(2)3)23(36)28-17(12-19(26)27)21(35)22-31-33-34-32-22/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,36)(H,29,37)(H,30,38)(H,31,32,33,34)/t15?,17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110158 ((S)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)OC Show InChI InChI=1S/C26H37F2N3O7/c1-6-16(4)21(31-26(36)38-14-17-10-8-7-9-11-17)24(34)30-19(12-15(2)3)23(33)29-18(13-20(27)28)22(32)25(35)37-5/h7-11,15-16,18-21H,6,12-14H2,1-5H3,(H,29,33)(H,30,34)(H,31,36)/t16?,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110139 ((R)-3-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)CC(O)=O Show InChI InChI=1S/C25H37F2N3O6/c1-5-16(4)22(30-25(35)36-14-17-9-7-6-8-10-17)24(34)29-19(11-15(2)3)23(33)28-18(12-20(26)27)13-21(31)32/h6-10,15-16,18-20,22H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,30,35)(H,31,32)/t16?,18-,19-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50110150 ((S)-3-[2-((S)-2-Benzyloxycarbonylamino-3-methyl-pe...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C21H27F2N3O7/c1-3-12(2)17(26-21(32)33-11-13-7-5-4-6-8-13)19(29)24-10-16(27)25-14(9-15(22)23)18(28)20(30)31/h4-8,12,14-15,17H,3,9-11H2,1-2H3,(H,24,29)(H,25,27)(H,26,32)(H,30,31)/t12-,14-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 to hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair