Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'alogheli' and Initial = 'h'   

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)	BDBM50326055 ((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...) Show SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C38H53N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h7,10,12-13,25-27,29-30H,1,8-9,11,14-22H2,2-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a NS3 protease				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus)	BDBM50336545 ((1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidoth...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50336545 ((1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidoth...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r| Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b NS3/4A protease				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease D168V mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50366760 (CHEMBL2369589) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM12311 ((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...) Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease R155K mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037468 (CHEMBL3125046) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C44H52N6O9S/c1-10-12-18-25-60(55,56)50-39(51)31-21-16-17-22-32(31)45-40(52)36(48-41(53)37(43(3,4)5)49-42(54)59-44(6,7)8)30-23-24-33(28(11-2)26-30)58-35-27-34(57-9)46-38(47-35)29-19-14-13-15-20-29/h10-11,13-17,19-24,26-27,36-37H,1-2,12,18,25H2,3-9H3,(H,45,52)(H,48,53)(H,49,54)(H,50,51)/t36-,37+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037467 (CHEMBL3125047) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C44H52N6O9S/c1-10-12-18-25-60(55,56)50-39(51)31-21-16-17-22-32(31)45-40(52)36(48-41(53)37(43(3,4)5)49-42(54)59-44(6,7)8)30-23-24-33(28(11-2)26-30)58-35-27-34(57-9)46-38(47-35)29-19-14-13-15-20-29/h10-11,13-17,19-24,26-27,36-37H,1-2,12,18,25H2,3-9H3,(H,45,52)(H,48,53)(H,49,54)(H,50,51)/t36-,37-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037503 (CHEMBL3356701) Show SMILES [H][C@@]12CCC[C@]1([H])C(N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28?,30+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50496205 (CHEMBL3125043) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C46H47F3N6O9S/c1-9-27-24-29(18-23-34(27)63-36-26-35(62-8)51-39(52-36)28-14-11-10-12-15-28)37(53-42(58)38(44(2,3)4)54-43(59)64-45(5,6)7)41(57)50-32-17-13-16-30(25-32)40(56)55-65(60,61)33-21-19-31(20-22-33)46(47,48)49/h9-26,37-38H,1H2,2-8H3,(H,50,57)(H,53,58)(H,54,59)(H,55,56)/t37-,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease A156T mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrat...				ACS Med Chem Lett 5: 249-54 (2014) Article DOI: 10.1021/ml400217r BindingDB Entry DOI: 10.7270/Q2C250FF
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037501 (CHEMBL1170408) Show SMILES CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(nc3cc(OC)ccc23)-c2ccccc2)c(C=C)c1)C(=O)NS(=O)(=O)CCCC=C |r| Show InChI InChI=1S/C47H59N5O9S/c1-11-14-18-26-62(57,58)52-42(53)35(19-12-2)49-43(54)40(50-44(55)41(46(4,5)6)51-45(56)61-47(7,8)9)32-22-25-38(30(13-3)27-32)60-39-29-36(31-20-16-15-17-21-31)48-37-28-33(59-10)23-24-34(37)39/h11,13,15-17,20-25,27-29,35,40-41H,1,3,12,14,18-19,26H2,2,4-10H3,(H,49,54)(H,50,55)(H,51,56)(H,52,53)/t35-,40-,41+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458175 (CHEMBL3797556) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)NC2(CC(C2)OCc2ccccc2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |(14.39,-12.96,;13.32,-12.34,;13.32,-13.57,;12.26,-12.95,;13.33,-10.8,;12,-10.02,;10.93,-10.64,;12,-8.48,;10.67,-7.71,;9.34,-8.48,;8,-7.7,;6.94,-8.32,;8.01,-6.16,;6.68,-5.39,;5.34,-6.15,;4.01,-5.38,;2.67,-6.14,;1.34,-5.36,;1.35,-3.82,;2.69,-3.06,;4.01,-3.84,;9.34,-5.4,;9.34,-3.85,;10.68,-3.08,;11.74,-3.7,;10.67,-1.54,;12.01,-.77,;13.1,.22,;12.01,1.31,;10.92,.22,;12,2.85,;10.66,3.61,;10.66,5.15,;9.33,5.92,;9.32,7.46,;10.66,8.23,;11.99,7.47,;11.99,5.93,;13.34,-1.54,;13.35,-2.77,;14.68,-.77,;16.01,-1.54,;16.01,-2.77,;14.95,-2.15,;17.35,-.76,;17.35,.78,;18.68,1.55,;20.01,.78,;20.01,-.76,;18.68,-1.53,;21.35,1.55,;21.35,2.78,;22.41,.93,;22.41,2.16,;10.67,-6.17,;11.74,-5.55,)| Show InChI InChI=1S/C38H46ClF3N6O7S/c1-36(2,3)46-35(52)44-32-33(50)48(29(31(39)43-32)19-14-24-10-6-4-7-11-24)22-30(49)45-37(20-27(21-37)55-23-25-12-8-5-9-13-25)34(51)47-56(53,54)28-17-15-26(16-18-28)38(40,41)42/h5,8-9,12-13,15-18,24,27H,4,6-7,10-11,14,19-23H2,1-3H3,(H,45,49)(H,47,51)(H2,43,44,46,52)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458177 (CHEMBL3797877) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(O)=O)c1=O Show InChI InChI=1S/C26H34ClN5O5/c1-26(2,3)31-25(37)30-22-23(34)32(15-20(33)28-18-12-8-7-11-17(18)24(35)36)19(21(27)29-22)14-13-16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,28,33)(H,35,36)(H2,29,30,31,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037451 (CHEMBL3356714) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23| Show InChI InChI=1S/C43H50N6O9S/c1-43(2,3)58-42(53)45-34-22-14-9-7-5-6-8-10-17-27-59(54,55)49-39(50)32-20-15-16-21-33(32)44-41(52)37(48-40(34)51)29-23-25-31(26-24-29)57-36-28-35(56-4)46-38(47-36)30-18-12-11-13-19-30/h6,8,11-13,15-16,18-21,23-26,28,34,37H,5,7,9-10,14,17,22,27H2,1-4H3,(H,44,52)(H,45,53)(H,48,51)(H,49,50)/b8-6+/t34-,37?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037451 (CHEMBL3356714) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23| Show InChI InChI=1S/C43H50N6O9S/c1-43(2,3)58-42(53)45-34-22-14-9-7-5-6-8-10-17-27-59(54,55)49-39(50)32-20-15-16-21-33(32)44-41(52)37(48-40(34)51)29-23-25-31(26-24-29)57-36-28-35(56-4)46-38(47-36)30-18-12-11-13-19-30/h6,8,11-13,15-16,18-21,23-26,28,34,37H,5,7,9-10,14,17,22,27H2,1-4H3,(H,44,52)(H,45,53)(H,48,51)(H,49,50)/b8-6+/t34-,37?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50326056 ((1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazin...) Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease R155K mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458179 (CHEMBL3798865) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)-c2cncnc2)c1=O Show InChI InChI=1S/C37H40ClF3N8O6S/c1-36(2,3)47-35(53)46-32-34(52)49(29(31(38)45-32)16-9-22-7-5-4-6-8-22)20-30(50)44-28-17-23(24-18-42-21-43-19-24)10-15-27(28)33(51)48-56(54,55)26-13-11-25(12-14-26)37(39,40)41/h10-15,17-19,21-22H,4-9,16,20H2,1-3H3,(H,44,50)(H,48,51)(H2,45,46,47,53)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037491 (CHEMBL3356708) Show SMILES COc1cc(Oc2ccc(cc2)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C42H50N6O9S/c1-9-10-16-25-58(53,54)48-37(49)30-19-14-15-20-31(30)43-38(50)34(46-39(51)35(41(2,3)4)47-40(52)57-42(5,6)7)27-21-23-29(24-22-27)56-33-26-32(55-8)44-36(45-33)28-17-12-11-13-18-28/h9,11-15,17-24,26,34-35H,1,10,16,25H2,2-8H3,(H,43,50)(H,46,51)(H,47,52)(H,48,49)/t34-,35+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037494 (CHEMBL3356706) Show SMILES CC(C)(C)[C@H](NC(=O)OCCC=C)C(=O)N[C@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)CCCC=C)c1ccc(Oc2cc(C=C)nc(n2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C43H48N6O8S/c1-7-10-17-27-58(54,55)49-39(50)33-20-15-16-21-34(33)45-40(51)36(47-41(52)37(43(4,5)6)48-42(53)56-26-11-8-2)29-22-24-32(25-23-29)57-35-28-31(9-3)44-38(46-35)30-18-13-12-14-19-30/h7-9,12-16,18-25,28,36-37H,1-3,10-11,17,26-27H2,4-6H3,(H,45,51)(H,47,52)(H,48,53)(H,49,50)/t36-,37+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50496204 (CHEMBL3125169) Show SMILES COc1cc(Oc2ccc(cc2C=C)C(NC(=O)OC(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1 Show InChI InChI=1S/C40H36F3N5O8S/c1-6-24-21-26(15-20-31(24)55-33-23-32(54-5)45-35(46-33)25-11-8-7-9-12-25)34(47-38(51)56-39(2,3)4)37(50)44-29-14-10-13-27(22-29)36(49)48-57(52,53)30-18-16-28(17-19-30)40(41,42)43/h6-23,34H,1H2,2-5H3,(H,44,50)(H,47,51)(H,48,49)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease A156T mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrat...				ACS Med Chem Lett 5: 249-54 (2014) Article DOI: 10.1021/ml400217r BindingDB Entry DOI: 10.7270/Q2C250FF
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50496205 (CHEMBL3125043) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C46H47F3N6O9S/c1-9-27-24-29(18-23-34(27)63-36-26-35(62-8)51-39(52-36)28-14-11-10-12-15-28)37(53-42(58)38(44(2,3)4)54-43(59)64-45(5,6)7)41(57)50-32-17-13-16-30(25-32)40(56)55-65(60,61)33-21-19-31(20-22-33)46(47,48)49/h9-26,37-38H,1H2,2-8H3,(H,50,57)(H,53,58)(H,54,59)(H,55,56)/t37-,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease D168V mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrat...				ACS Med Chem Lett 5: 249-54 (2014) Article DOI: 10.1021/ml400217r BindingDB Entry DOI: 10.7270/Q2C250FF
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037455 (CHEMBL3356716) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCCCCCCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C43H52N6O9S/c1-43(2,3)58-42(53)45-34-22-14-9-7-5-6-8-10-17-27-59(54,55)49-39(50)32-20-15-16-21-33(32)44-41(52)37(48-40(34)51)29-23-25-31(26-24-29)57-36-28-35(56-4)46-38(47-36)30-18-12-11-13-19-30/h11-13,15-16,18-21,23-26,28,34,37H,5-10,14,17,22,27H2,1-4H3,(H,44,52)(H,45,53)(H,48,51)(H,49,50)/t34-,37?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease A156T mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037445 (CHEMBL3356717) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCCCCCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C42H50N6O9S/c1-42(2,3)57-41(52)44-33-21-13-8-6-5-7-9-16-26-58(53,54)48-38(49)31-19-14-15-20-32(31)43-40(51)36(47-39(33)50)28-22-24-30(25-23-28)56-35-27-34(55-4)45-37(46-35)29-17-11-10-12-18-29/h10-12,14-15,17-20,22-25,27,33,36H,5-9,13,16,21,26H2,1-4H3,(H,43,51)(H,44,52)(H,47,50)(H,48,49)/t33-,36?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037451 (CHEMBL3356714) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23| Show InChI InChI=1S/C43H50N6O9S/c1-43(2,3)58-42(53)45-34-22-14-9-7-5-6-8-10-17-27-59(54,55)49-39(50)32-20-15-16-21-33(32)44-41(52)37(48-40(34)51)29-23-25-31(26-24-29)57-36-28-35(56-4)46-38(47-36)30-18-12-11-13-19-30/h6,8,11-13,15-16,18-21,23-26,28,34,37H,5,7,9-10,14,17,22,27H2,1-4H3,(H,44,52)(H,45,53)(H,48,51)(H,49,50)/b8-6+/t34-,37?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV NS3/4A protease A156T mutant using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50496213 (CHEMBL3125634) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C33H38ClF3N6O6S/c1-32(2,3)41-31(47)40-28-30(46)43(25(27(34)39-28)18-13-20-9-5-4-6-10-20)19-26(44)38-24-12-8-7-11-23(24)29(45)42-50(48,49)22-16-14-21(15-17-22)33(35,36)37/h7-8,11-12,14-17,20H,4-6,9-10,13,18-19H2,1-3H3,(H,38,44)(H,42,45)(H2,39,40,41,47)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease A156T mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458176 (CHEMBL3798789) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccccc2S(=O)(=O)NC(=O)c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C36H32ClF3N6O6S/c1-35(2,3)44-34(50)43-31-33(49)46(27(30(37)42-31)19-23-11-8-10-21-9-4-5-12-25(21)23)20-29(47)41-26-13-6-7-14-28(26)53(51,52)45-32(48)22-15-17-24(18-16-22)36(38,39)40/h4-18H,19-20H2,1-3H3,(H,41,47)(H,45,48)(H2,42,43,44,50)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50496204 (CHEMBL3125169) Show SMILES COc1cc(Oc2ccc(cc2C=C)C(NC(=O)OC(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1 Show InChI InChI=1S/C40H36F3N5O8S/c1-6-24-21-26(15-20-31(24)55-33-23-32(54-5)45-35(46-33)25-11-8-7-9-12-25)34(47-38(51)56-39(2,3)4)37(50)44-29-14-10-13-27(22-29)36(49)48-57(52,53)30-18-16-28(17-19-30)40(41,42)43/h6-23,34H,1H2,2-5H3,(H,44,50)(H,47,51)(H,48,49)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease D168V mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrat...				ACS Med Chem Lett 5: 249-54 (2014) Article DOI: 10.1021/ml400217r BindingDB Entry DOI: 10.7270/Q2C250FF
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037495 (CHEMBL3125171) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C38H41N5O8S/c1-7-9-15-22-52(47,48)43-35(44)28-18-13-14-19-29(28)39-36(45)33(42-37(46)51-38(3,4)5)27-20-21-30(25(8-2)23-27)50-32-24-31(49-6)40-34(41-32)26-16-11-10-12-17-26/h7-8,10-14,16-21,23-24,33H,1-2,9,15,22H2,3-6H3,(H,39,45)(H,42,46)(H,43,44)/t33-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD 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
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of full-length HCV NS3 protease D168V mutant				J Med Chem 57: 1790-801 (2014) Article DOI: 10.1021/jm301887f BindingDB Entry DOI: 10.7270/Q2V127T4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50496205 (CHEMBL3125043) Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C46H47F3N6O9S/c1-9-27-24-29(18-23-34(27)63-36-26-35(62-8)51-39(52-36)28-14-11-10-12-15-28)37(53-42(58)38(44(2,3)4)54-43(59)64-45(5,6)7)41(57)50-32-17-13-16-30(25-32)40(56)55-65(60,61)33-21-19-31(20-22-33)46(47,48)49/h9-26,37-38H,1H2,2-8H3,(H,50,57)(H,53,58)(H,54,59)(H,55,56)/t37-,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease R155K mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrat...				ACS Med Chem Lett 5: 249-54 (2014) Article DOI: 10.1021/ml400217r BindingDB Entry DOI: 10.7270/Q2C250FF
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037451 (CHEMBL3356714) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23| Show InChI InChI=1S/C43H50N6O9S/c1-43(2,3)58-42(53)45-34-22-14-9-7-5-6-8-10-17-27-59(54,55)49-39(50)32-20-15-16-21-33(32)44-41(52)37(48-40(34)51)29-23-25-31(26-24-29)57-36-28-35(56-4)46-38(47-36)30-18-12-11-13-19-30/h6,8,11-13,15-16,18-21,23-26,28,34,37H,5,7,9-10,14,17,22,27H2,1-4H3,(H,44,52)(H,45,53)(H,48,51)(H,49,50)/b8-6+/t34-,37?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV NS3/4A protease R155K mutant using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037498 (CHEMBL3356703) Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)CCCC=C)c1ccc(Oc2cc(C=C)nc(n2)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C37H39N5O7S/c1-6-8-14-23-50(46,47)42-34(43)29-17-12-13-18-30(29)39-35(44)32(41-36(45)49-37(3,4)5)25-19-21-28(22-20-25)48-31-24-27(7-2)38-33(40-31)26-15-10-9-11-16-26/h6-7,9-13,15-22,24,32H,1-2,8,14,23H2,3-5H3,(H,39,44)(H,41,45)(H,42,43)/t32-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037456 (CHEMBL3356715) Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23| Show InChI InChI=1S/C42H48N6O9S/c1-42(2,3)57-41(52)44-33-21-13-8-6-5-7-9-16-26-58(53,54)48-38(49)31-19-14-15-20-32(31)43-40(51)36(47-39(33)50)28-22-24-30(25-23-28)56-35-27-34(55-4)45-37(46-35)29-17-11-10-12-18-29/h7,9-12,14-15,17-20,22-25,27,33,36H,5-6,8,13,16,21,26H2,1-4H3,(H,43,51)(H,44,52)(H,47,50)(H,48,49)/b9-7+/t33-,36?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037493 (CHEMBL3356707) Show SMILES COc1cc(Oc2ccc(cc2)[C@H](NC(=O)[C@H](CCCCCC=C)NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C45H54N6O9S/c1-7-9-11-12-16-24-36(47-44(55)60-45(3,4)5)42(53)50-39(43(54)46-35-23-18-17-22-34(35)41(52)51-61(56,57)29-19-10-8-2)31-25-27-33(28-26-31)59-38-30-37(58-6)48-40(49-38)32-20-14-13-15-21-32/h7-8,13-15,17-18,20-23,25-28,30,36,39H,1-2,9-12,16,19,24,29H2,3-6H3,(H,46,54)(H,47,55)(H,50,53)(H,51,52)/t36-,39-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037502 (CHEMBL1170421) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(=O)NS(=O)(=O)CCCC=C |r| Show InChI InChI=1S/C42H57N5O9S/c1-10-12-16-22-57(52,53)46-37(48)31(17-11-2)44-38(49)34-24-29(26-47(34)39(50)36(41(3,4)5)45-40(51)56-42(6,7)8)55-35-25-32(27-18-14-13-15-19-27)43-33-23-28(54-9)20-21-30(33)35/h10,13-15,18-21,23,25,29,31,34,36H,1,11-12,16-17,22,24,26H2,2-9H3,(H,44,49)(H,45,51)(H,46,48)/t29-,31+,34+,36-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50037499 (CHEMBL3356702) Show SMILES COc1ccc2c(Oc3ccc(cc3)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc3ccccc3C(=O)NS(=O)(=O)c3ccccc3)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C48H49N5O9S/c1-47(2,3)42(52-46(57)62-48(4,5)6)45(56)51-41(44(55)50-37-21-15-14-20-36(37)43(54)53-63(58,59)34-18-12-9-13-19-34)31-22-24-32(25-23-31)61-40-29-38(30-16-10-8-11-17-30)49-39-28-33(60-7)26-27-35(39)40/h8-29,41-42H,1-7H3,(H,50,55)(H,51,56)(H,52,57)(H,53,54)/t41-,42+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
					More data for this Ligand-Target Pair

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