Compile Data Set for Download or QSAR

Found 254 hits with Last Name = 'butkiewicz' and Initial = 'n'   

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)	BDBM50187938 (3-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCC(C1)C(O)=O)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H56N6O11/c1-4-11-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-13-6-5-7-14-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-9-16-29(22-28)43(57)58)46-34(50)21-26-12-8-17-30(20-26)59-18-10-19-60-31/h5-8,12-14,17,20,28-29,31-33,36-37H,4,9-11,15-16,18-19,21-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28?,29?,31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12493 ((2S)-({N-[3-({[(7R,9S,12S)-12-cyclohexyl-5,5-dimet...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C44H60N6O9/c1-6-14-33(39(53)41(55)45-26-36(52)48-37(42(56)49(4)5)29-16-9-7-10-17-29)46-40(54)34-25-32-27-50(34)43(57)38(30-18-11-8-12-19-30)47-35(51)24-28-15-13-20-31(23-28)58-22-21-44(2,3)59-32/h7,9-10,13,15-17,20,23,30,32-34,37-38H,6,8,11-12,14,18-19,21-22,24-27H2,1-5H3,(H,45,55)(H,46,54)(H,47,51)(H,48,52)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12483 ((2S)-({N-[3-({[(5S,8S,10R)-5-cyclohexyl-3,6-dioxo-...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C43H58N6O9/c1-4-14-33(39(52)41(54)44-26-36(51)47-37(42(55)48(2)3)29-16-7-5-8-17-29)45-40(53)34-25-32-27-49(34)43(56)38(30-18-9-6-10-19-30)46-35(50)24-28-15-13-20-31(23-28)57-21-11-12-22-58-32/h5,7-8,13,15-17,20,23,30,32-34,37-38H,4,6,9-12,14,18-19,21-22,24-27H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-47.3	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187936 ((7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H56N6O9/c1-4-13-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-15-7-5-8-16-28)44-39(52)33-24-31-26-48(33)42(55)37(29-17-9-6-10-18-29)45-34(49)23-27-14-11-19-30(22-27)56-20-12-21-57-31/h5,7-8,11,14-16,19,22,29,31-33,36-37H,4,6,9-10,12-13,17-18,20-21,23-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12476 ((2S)-({N-[(3S)-3-({[(7R,9S,12S)-12-cyclohexyl-11,1...) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O9/c1-4-13-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-15-7-5-8-16-28)44-39(52)33-24-31-26-48(33)42(55)37(29-17-9-6-10-18-29)45-34(49)23-27-14-11-19-30(22-27)56-20-12-21-57-31/h5,7-8,11,14-16,19,22,29,31-33,36-37H,4,6,9-10,12-13,17-18,20-21,23-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8	-47.0	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12287 (SCH 491762 | tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r| Show InChI InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19?,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12475 ((2S)-({N-[3-({[(7R,9S,12S)-12-cyclohexyl-11,14-dio...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C40H51N5O10/c1-2-11-30(36(48)38(50)41-23-33(47)44-35(40(52)53)27-15-7-4-8-16-27)42-37(49)31-22-29-24-45(31)39(51)34(26-13-5-3-6-14-26)43-32(46)21-25-12-9-17-28(20-25)54-18-10-19-55-29/h4,7-9,12,15-17,20,26,29-31,34-35H,2-3,5-6,10-11,13-14,18-19,21-24H2,1H3,(H,41,50)(H,42,49)(H,43,46)(H,44,47)(H,52,53)/t29-,30?,31+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12484 ((2S)-({N-[3-({[(7R,9S,12S)-12-cyclohexyl-11,14-dio...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCS2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O8S/c1-4-13-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-15-7-5-8-16-28)44-39(52)33-24-31-26-48(33)42(55)37(29-17-9-6-10-18-29)45-34(49)23-27-14-11-19-30(22-27)56-20-12-21-57-31/h5,7-8,11,14-16,19,22,29,31-33,36-37H,4,6,9-10,12-13,17-18,20-21,23-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9761 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:30:29:26.25:28| Show InChI InChI=1S/C37H55N7O7/c1-36(2,3)30(41-35(51)42-37(4,5)6)34(50)44-24-17-16-23(19-24)28(44)31(47)39-25(18-21-14-15-21)29(46)32(48)38-20-26(45)40-27(33(49)43(7)8)22-12-10-9-11-13-22/h9-13,21,23-25,27-28,30H,14-20H2,1-8H3,(H,38,48)(H,39,47)(H,40,45)(H2,41,42,51)/t23?,24?,25?,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187934 ((7R,9S,12S)-12-cyclohexyl-19-methyl-11,14-dioxo-2,...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1ccc(C)c(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O9/c1-5-13-32(39(52)41(54)44-25-36(51)47-37(42(55)48(3)4)29-14-8-6-9-15-29)45-40(53)33-24-31-26-49(33)43(56)38(30-16-10-7-11-17-30)46-35(50)23-28-19-18-27(2)34(22-28)58-21-12-20-57-31/h6,8-9,14-15,18-19,22,30-33,37-38H,5,7,10-13,16-17,20-21,23-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t31-,32?,33+,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12309 ((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...) Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-14-16(26(14,7)8)17(31)21(34)28-15(11-13-9-10-13)18(32)20(27)33/h13-17,19H,9-12H2,1-8H3,(H2,27,33)(H,28,34)(H2,29,30,36)/t14-,15?,16-,17-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9763 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:31:30:27.26:29| Show InChI InChI=1S/C38H57N7O7/c1-37(2,3)31(42-36(52)43-38(4,5)6)35(51)45-25-18-17-24(20-25)29(45)32(48)40-26(19-22-13-12-14-22)30(47)33(49)39-21-27(46)41-28(34(50)44(7)8)23-15-10-9-11-16-23/h9-11,15-16,22,24-26,28-29,31H,12-14,17-21H2,1-8H3,(H,39,49)(H,40,48)(H,41,46)(H2,42,43,52)/t24?,25?,26?,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.8	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9699 ((2S)-2-[2-(3-{[(3S,18S)-3-cyclohexyl-2,5-dioxo-12-...) Show SMILES CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C41H53N5O9/c1-2-13-31(37(49)39(51)42-24-34(48)45-36(41(53)54)27-16-9-6-10-17-27)43-38(50)32-23-28-19-20-30-22-29(28)25-46(32)40(52)35(26-14-7-5-8-15-26)44-33(47)18-11-3-4-12-21-55-30/h6,9-10,16-17,19-20,22,26,31-32,35-36H,2-5,7-8,11-15,18,21,23-25H2,1H3,(H,42,51)(H,43,50)(H,44,47)(H,45,48)(H,53,54)/t31?,32-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-45.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 567-74 (2006) Article DOI: 10.1021/jm050520a BindingDB Entry DOI: 10.7270/Q2QJ7FJV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12480 ((2S)-({N-[(3S)-3-({[(7R,9S,12S)-12-tert-butyl-11,1...) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C40H54N6O9/c1-7-13-29(34(49)37(51)41-23-32(48)43-33(38(52)45(5)6)26-15-9-8-10-16-26)42-36(50)30-22-28-24-46(30)39(53)35(40(2,3)4)44-31(47)21-25-14-11-17-27(20-25)54-18-12-19-55-28/h8-11,14-17,20,28-30,33,35H,7,12-13,18-19,21-24H2,1-6H3,(H,41,51)(H,42,50)(H,43,48)(H,44,47)/t28-,29+,30+,33+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-45.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12492 (Proline-Based Macrocycle 44 | tert-butyl (2S)-({N-...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C46H63N5O10/c1-7-15-34(40(54)42(56)47-27-37(53)50-39(31-19-12-9-13-20-31)44(58)61-45(2,3)4)48-41(55)35-26-33-28-51(35)43(57)38(30-17-10-8-11-18-30)49-36(52)25-29-16-14-21-32(24-29)59-23-22-46(5,6)60-33/h9,12-14,16,19-21,24,30,33-35,38-39H,7-8,10-11,15,17-18,22-23,25-28H2,1-6H3,(H,47,56)(H,48,55)(H,49,52)(H,50,53)/t33-,34?,35+,38+,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12307 ((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...) Show SMILES CC(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/C26H43N5O5/c1-13(2)28-24(36)30-20(25(3,4)5)23(35)31-12-15-17(26(15,6)7)18(31)22(34)29-16(19(32)21(27)33)11-14-9-8-10-14/h13-18,20H,8-12H2,1-7H3,(H2,27,33)(H,29,34)(H2,28,30,36)/t15-,16?,17-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12494 ((2S)-({N-[3-({[(7R,9S,12S)-12-tert-butyl-5,5-dimet...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C42H58N6O9/c1-9-14-30(35(51)38(53)43-24-33(50)45-34(39(54)47(7)8)27-16-11-10-12-17-27)44-37(52)31-23-29-25-48(31)40(55)36(41(2,3)4)46-32(49)22-26-15-13-18-28(21-26)56-20-19-42(5,6)57-29/h10-13,15-18,21,29-31,34,36H,9,14,19-20,22-25H2,1-8H3,(H,43,53)(H,44,52)(H,45,50)(H,46,49)/t29-,30?,31+,34+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9753 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:30:29:26.25:28,THB:21:23:26.25:28| Show InChI InChI=1S/C37H54N6O8/c1-36(2,3)30(41-35(50)51-37(4,5)6)34(49)43-24-17-16-23(19-24)28(43)31(46)39-25(18-21-14-15-21)29(45)32(47)38-20-26(44)40-27(33(48)42(7)8)22-12-10-9-11-13-22/h9-13,21,23-25,27-28,30H,14-20H2,1-8H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23?,24?,25?,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-44.8	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187930 (4-{(7R,9S,12S)-9-[1-((S)-dimethylcarbamoyl-phenyl-...) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)Cc1cccc(OCCCO2)c1)[C@@]1([H])CC[C@@H](CC1)C(O)=O)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |wU:3.38,29.35,51.54,1.0,8.9,25.28,(17.8,-12.47,;16.63,-13.92,;18.13,-14.24,;18.29,-15.78,;16.89,-16.4,;15.85,-15.25,;16.56,-17.91,;17.7,-18.94,;15.1,-18.37,;16.43,-19.14,;13.96,-17.34,;12.06,-17.92,;12.07,-19.46,;10.72,-17.16,;10.7,-15.62,;9.35,-14.86,;9.34,-13.32,;10.67,-12.54,;12,-13.31,;13.33,-12.53,;13.32,-10.99,;14.65,-10.21,;15.99,-10.97,;16,-12.51,;12.02,-14.84,;14.77,-19.88,;13.68,-18.79,;13.31,-20.35,;12.99,-21.85,;14.12,-22.89,;15.59,-22.42,;15.92,-20.91,;13.79,-24.4,;12.32,-24.87,;14.94,-25.44,;19.63,-16.55,;19.63,-18.09,;20.96,-15.78,;22.29,-16.55,;22.29,-18.09,;20.96,-18.86,;20.96,-20.4,;23.62,-15.78,;23.62,-14.24,;24.95,-16.55,;24.95,-18.09,;26.29,-15.78,;27.63,-16.55,;28.96,-15.78,;28.96,-14.24,;30.29,-16.55,;31.62,-15.78,;32.96,-16.55,;32.96,-18.09,;34.29,-15.78,;35.63,-16.55,;34.29,-14.24,;31.62,-14.24,;32.96,-13.47,;32.96,-11.93,;31.63,-11.17,;30.29,-11.94,;30.3,-13.48,)| Show InChI InChI=1S/C43H56N6O11/c1-4-10-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-12-6-5-7-13-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-17-29(18-16-28)43(57)58)46-34(50)22-26-11-8-14-30(21-26)59-19-9-20-60-31/h5-8,11-14,21,28-29,31-33,36-37H,4,9-10,15-20,22-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28?,29-,31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12495 ((2S)-({N-[3-({[(7R,9S,12S)-12-isopropyl-5,5-dimeth...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C41H56N6O9/c1-8-13-30(36(50)38(52)42-23-33(49)45-35(39(53)46(6)7)27-15-10-9-11-16-27)43-37(51)31-22-29-24-47(31)40(54)34(25(2)3)44-32(48)21-26-14-12-17-28(20-26)55-19-18-41(4,5)56-29/h9-12,14-17,20,25,29-31,34-35H,8,13,18-19,21-24H2,1-7H3,(H,42,52)(H,43,51)(H,44,48)(H,45,49)/t29-,30?,31+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9760 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:30:29:26.25:28,THB:21:23:26.25:28| Show InChI InChI=1S/C39H57N7O7/c1-39(2,3)44-38(53)43-31(25-14-10-7-11-15-25)37(52)46-27-19-18-26(21-27)32(46)34(49)41-28(20-23-16-17-23)33(48)35(50)40-22-29(47)42-30(36(51)45(4)5)24-12-8-6-9-13-24/h6,8-9,12-13,23,25-28,30-32H,7,10-11,14-22H2,1-5H3,(H,40,50)(H,41,49)(H,42,47)(H2,43,44,53)/t26?,27?,28?,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-44.8	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9758 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:30:29:26.25:28| Show InChI InChI=1S/C39H56N6O8/c1-39(2,3)53-38(52)43-31(25-14-10-7-11-15-25)37(51)45-27-19-18-26(21-27)32(45)34(48)41-28(20-23-16-17-23)33(47)35(49)40-22-29(46)42-30(36(50)44(4)5)24-12-8-6-9-13-24/h6,8-9,12-13,23,25-28,30-32H,7,10-11,14-22H2,1-5H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-44.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9762 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:31:30:27.26:29| Show InChI InChI=1S/C40H59N7O7/c1-40(2,3)45-39(54)44-32(26-17-10-7-11-18-26)38(53)47-28-20-19-27(22-28)33(47)35(50)42-29(21-24-13-12-14-24)34(49)36(51)41-23-30(48)43-31(37(52)46(4)5)25-15-8-6-9-16-25/h6,8-9,15-16,24,26-29,31-33H,7,10-14,17-23H2,1-5H3,(H,41,51)(H,42,50)(H,43,48)(H2,44,45,54)/t27?,28?,29?,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-44.6	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9700 (3-{[(3S,18S)-3-cyclohexyl-2,5-dioxo-12-oxa-1,4-dia...) Show SMILES CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C43H58N6O8/c1-4-15-33(39(52)41(54)44-26-36(51)47-37(42(55)48(2)3)28-16-9-7-10-17-28)45-40(53)34-25-30-21-22-32-24-31(30)27-49(34)43(56)38(29-18-11-8-12-19-29)46-35(50)20-13-5-6-14-23-57-32/h7,9-10,16-17,21-22,24,29,33-34,37-38H,4-6,8,11-15,18-20,23,25-27H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t33?,34-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-44.6	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 567-74 (2006) Article DOI: 10.1021/jm050520a BindingDB Entry DOI: 10.7270/Q2QJ7FJV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12286 (1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r| Show InChI InChI=1S/C28H44N4O6/c1-27(2,3)38-26(37)31-20(16-9-7-6-8-10-16)25(36)32-14-17-19(28(17,4)5)21(32)24(35)30-18(13-15-11-12-15)22(33)23(29)34/h15-21H,6-14H2,1-5H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187935 ((6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-dioxa-9,...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)CCc1cccc(OCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187929 ((7R,9S,12S)-12-cyclohexyl-15-methyl-11,14-dioxo-2,...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)N(C)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H59N7O9/c1-5-14-33(38(52)40(54)44-25-35(51)46-36(41(55)48(2)3)29-16-8-6-9-17-29)45-39(53)34-24-32-27-50(34)42(56)37(30-18-10-7-11-19-30)47-43(57)49(4)26-28-15-12-20-31(23-28)58-21-13-22-59-32/h6,8-9,12,15-17,20,23,30,32-34,36-37H,5,7,10-11,13-14,18-19,21-22,24-27H2,1-4H3,(H,44,54)(H,45,53)(H,46,51)(H,47,57)/t32-,33?,34+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9754 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:31:30:27.26:29| Show InChI InChI=1S/C38H56N6O8/c1-37(2,3)31(42-36(51)52-38(4,5)6)35(50)44-25-18-17-24(20-25)29(44)32(47)40-26(19-22-13-12-14-22)30(46)33(48)39-21-27(45)41-28(34(49)43(7)8)23-15-10-9-11-16-23/h9-11,15-16,22,24-26,28-29,31H,12-14,17-21H2,1-8H3,(H,39,48)(H,40,47)(H,41,45)(H,42,51)/t24?,25?,26?,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-43.9	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187927 ((7R,9S,12S)-12-cyclohexyl-18-methyl-11,14-dioxo-2,...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cc(C)cc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O9/c1-5-13-33(39(52)41(54)44-25-36(51)47-37(42(55)48(3)4)29-14-8-6-9-15-29)45-40(53)34-24-32-26-49(34)43(56)38(30-16-10-7-11-17-30)46-35(50)23-28-20-27(2)21-31(22-28)57-18-12-19-58-32/h6,8-9,14-15,20-22,30,32-34,37-38H,5,7,10-13,16-19,23-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50024579 (CHEMBL3084341) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@@]([H])(NC(=O)Cc1cccc(OCCCO2)c1)[C@]1([H])CC[C@@H](CC1)C(O)=O)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |wU:3.38,51.54,1.0,8.9,25.28,wD:29.35,(17.8,-12.47,;16.63,-13.92,;18.13,-14.24,;18.29,-15.78,;16.89,-16.4,;15.85,-15.25,;16.56,-17.91,;17.7,-18.94,;15.1,-18.37,;16.43,-19.14,;13.96,-17.34,;12.06,-17.92,;12.07,-19.46,;10.72,-17.16,;10.7,-15.62,;9.35,-14.86,;9.34,-13.32,;10.67,-12.54,;12,-13.31,;13.33,-12.53,;13.32,-10.99,;14.65,-10.21,;15.99,-10.97,;16,-12.51,;12.02,-14.84,;14.77,-19.88,;13.68,-18.79,;15.92,-20.91,;15.59,-22.42,;14.12,-22.89,;12.99,-21.85,;13.31,-20.35,;13.79,-24.4,;12.32,-24.87,;14.94,-25.44,;19.63,-16.55,;19.63,-18.09,;20.96,-15.78,;22.29,-16.55,;22.29,-18.09,;20.96,-18.86,;20.96,-20.4,;23.62,-15.78,;23.62,-14.24,;24.95,-16.55,;24.95,-18.09,;26.29,-15.78,;27.63,-16.55,;28.96,-15.78,;28.96,-14.24,;30.29,-16.55,;31.62,-15.78,;32.96,-16.55,;32.96,-18.09,;34.29,-15.78,;35.63,-16.55,;34.29,-14.24,;31.62,-14.24,;32.96,-13.47,;32.96,-11.93,;31.63,-11.17,;30.29,-11.94,;30.3,-13.48,)| Show InChI InChI=1S/C43H56N6O11/c1-4-10-32(38(52)40(54)44-24-35(51)47-36(41(55)48(2)3)27-12-6-5-7-13-27)45-39(53)33-23-31-25-49(33)42(56)37(28-15-17-29(18-16-28)43(57)58)46-34(50)22-26-11-8-14-30(21-26)59-19-9-20-60-31/h5-8,11-14,21,28-29,31-33,36-37H,4,9-10,15-20,22-25H2,1-3H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)(H,57,58)/t28-,29+,31-,32?,33+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12482 (3-{[(6R,8S,11S)-11-cyclohexyl-10,13-dioxo-2,5-diox...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C41H54N6O9/c1-4-12-31(37(50)39(52)42-24-34(49)45-35(40(53)46(2)3)27-14-7-5-8-15-27)43-38(51)32-23-30-25-47(32)41(54)36(28-16-9-6-10-17-28)44-33(48)22-26-13-11-18-29(21-26)55-19-20-56-30/h5,7-8,11,13-15,18,21,28,30-32,35-36H,4,6,9-10,12,16-17,19-20,22-25H2,1-3H3,(H,42,52)(H,43,51)(H,44,48)(H,45,49)/t30-,31?,32+,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-43.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50187937 ((7R,9S,12S)-12-cyclohexyl-18-methoxy-11,14-dioxo-2...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cc(OC)cc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 Show InChI InChI=1S/C43H58N6O10/c1-5-13-33(39(52)41(54)44-25-36(51)47-37(42(55)48(2)3)28-14-8-6-9-15-28)45-40(53)34-24-32-26-49(34)43(56)38(29-16-10-7-11-17-29)46-35(50)22-27-20-30(57-4)23-31(21-27)58-18-12-19-59-32/h6,8-9,14-15,20-21,23,29,32-34,37-38H,5,7,10-13,16-19,22,24-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to HCV NS3 protease				Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12308 ((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...) Show SMILES C[C@@H](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)C(C)(C)C |r| Show InChI InChI=1S/C29H49N5O5/c1-15(27(2,3)4)31-26(39)33-22(28(5,6)7)25(38)34-14-17-19(29(17,8)9)20(34)24(37)32-18(21(35)23(30)36)13-16-11-10-12-16/h15-20,22H,10-14H2,1-9H3,(H2,30,36)(H,32,37)(H2,31,33,39)/t15-,17+,18?,19+,20+,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12486 ((2S)-({N-[3-({[(7R,9S,12S)-12-cyclohexyl-11,14-dio...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCN2S(=O)(=O)c2ccccc2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C48H61N7O10S/c1-4-16-38(44(58)46(60)49-30-41(57)52-42(47(61)53(2)3)33-18-8-5-9-19-33)50-45(59)39-29-35-31-54(39)48(62)43(34-20-10-6-11-21-34)51-40(56)28-32-17-14-22-36(27-32)65-26-15-25-55(35)66(63,64)37-23-12-7-13-24-37/h5,7-9,12-14,17-19,22-24,27,34-35,38-39,42-43H,4,6,10-11,15-16,20-21,25-26,28-31H2,1-3H3,(H,49,60)(H,50,59)(H,51,56)(H,52,57)/t35-,38?,39+,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12305 ((2R)-3-methylbutan-2-yl N-[(2S)-1-[(1R,2S,5S)-2-[(...) Show SMILES CC(C)[C@@H](C)OC(=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/C28H46N4O6/c1-14(2)15(3)38-26(37)31-22(27(4,5)6)25(36)32-13-17-19(28(17,7)8)20(32)24(35)30-18(21(33)23(29)34)12-16-10-9-11-16/h14-20,22H,9-13H2,1-8H3,(H2,29,34)(H,30,35)(H,31,37)/t15-,17+,18?,19+,20+,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12498 ((2S)-({N-[3-({[(7R,9S,12S)-12-(2,3-dihydro-1H-inde...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1Cc2ccccc2C1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C47H58N6O9/c1-6-13-36(42(56)44(58)48-27-39(55)51-40(45(59)52(4)5)30-15-8-7-9-16-30)49-43(57)37-26-35-28-53(37)46(60)41(33-24-31-17-10-11-18-32(31)25-33)50-38(54)23-29-14-12-19-34(22-29)61-21-20-47(2,3)62-35/h7-12,14-19,22,33,35-37,40-41H,6,13,20-21,23-28H2,1-5H3,(H,48,58)(H,49,57)(H,50,54)(H,51,55)/t35-,36?,37+,40+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9752 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13| Show InChI InChI=1S/C37H56N6O8/c1-21(2)18-25(29(45)32(47)38-20-26(44)40-27(33(48)42(9)10)22-14-12-11-13-15-22)39-31(46)28-23-16-17-24(19-23)43(28)34(49)30(36(3,4)5)41-35(50)51-37(6,7)8/h11-15,21,23-25,27-28,30H,16-20H2,1-10H3,(H,38,47)(H,39,46)(H,40,44)(H,41,50)/t23?,24?,25?,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.9	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9756 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13,THB:6:8:11.10:13| Show InChI InChI=1S/C39H58N6O8/c1-7-8-19-28(33(47)35(49)40-23-29(46)42-30(36(50)44(5)6)24-15-11-9-12-16-24)41-34(48)32-26-20-21-27(22-26)45(32)37(51)31(25-17-13-10-14-18-25)43-38(52)53-39(2,3)4/h9,11-12,15-16,25-28,30-32H,7-8,10,13-14,17-23H2,1-6H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	41	-42.9	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12474 (Proline-Based Macrocycle 22 | tert-butyl (2S)-({N-...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C44H59N5O10/c1-5-14-33(39(52)41(54)45-26-36(51)48-38(30-18-10-7-11-19-30)43(56)59-44(2,3)4)46-40(53)34-25-32-27-49(34)42(55)37(29-16-8-6-9-17-29)47-35(50)24-28-15-12-20-31(23-28)57-21-13-22-58-32/h7,10-12,15,18-20,23,29,32-34,37-38H,5-6,8-9,13-14,16-17,21-22,24-27H2,1-4H3,(H,45,54)(H,46,53)(H,47,50)(H,48,51)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	44	-42.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12497 ((2S)-({N-[3-({[(7R,9S,12S)-5,5-dimethyl-11,14-diox...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)c1ccccc1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C44H54N6O9/c1-6-14-33(39(53)41(55)45-26-36(52)48-37(42(56)49(4)5)29-16-9-7-10-17-29)46-40(54)34-25-32-27-50(34)43(57)38(30-18-11-8-12-19-30)47-35(51)24-28-15-13-20-31(23-28)58-22-21-44(2,3)59-32/h7-13,15-20,23,32-34,37-38H,6,14,21-22,24-27H2,1-5H3,(H,45,55)(H,46,54)(H,47,51)(H,48,52)/t32-,33?,34+,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12314 ((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...) Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r| Show InChI InChI=1S/C28H45N5O5/c1-27(2,3)32-26(38)31-20(16-9-7-6-8-10-16)25(37)33-14-17-19(28(17,4)5)21(33)24(36)30-18(13-15-11-12-15)22(34)23(29)35/h15-21H,6-14H2,1-5H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t17-,18?,19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12315 ((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...) Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r| Show InChI InChI=1S/C29H47N5O5/c1-28(2,3)33-27(39)32-21(17-12-7-6-8-13-17)26(38)34-15-18-20(29(18,4)5)22(34)25(37)31-19(23(35)24(30)36)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,36)(H,31,37)(H2,32,33,39)/t18-,19?,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12292 (1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)C2(C)C |r| Show InChI InChI=1S/C26H39F3N4O6/c1-24(2,3)39-23(38)32-17(13-9-7-6-8-10-13)22(37)33-12-14-16(25(14,4)5)18(33)21(36)31-15(11-26(27,28)29)19(34)20(30)35/h13-18H,6-12H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t14-,15?,16-,17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9931 ((2S)-2-(2-{3-[(2S)-2-[(2S)-2-cyclohexyl-2-{[(2-met...) Show SMILES CCCC(NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H51N5O9/c1-4-11-25(30(42)33(45)36-19-27(41)39-29(34(46)47)24-14-9-6-10-15-24)37-31(43)26(18-22-16-17-22)38-32(44)28(23-12-7-5-8-13-23)40-35(48)49-20-21(2)3/h6,9-10,14-15,21-23,25-26,28-29H,4-5,7-8,11-13,16-20H2,1-3H3,(H,36,45)(H,37,43)(H,38,44)(H,39,41)(H,40,48)(H,46,47)/t25?,26-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	-42.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 15: 4515-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.009 BindingDB Entry DOI: 10.7270/Q298857D
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12274 (1-Methyl-1-Phenylethyl-[[3-[[[(1R,5S)-3-[(S)-cyclo...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)OC(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C38H56N4O8/c1-9-16-26(31(44)33(46)39-21-27(43)49-38(7,8)24-19-14-11-15-20-24)40-32(45)30-28-25(37(28,5)6)22-42(30)34(47)29(23-17-12-10-13-18-23)41-35(48)50-36(2,3)4/h11,14-15,19-20,23,25-26,28-30H,9-10,12-13,16-18,21-22H2,1-8H3,(H,39,46)(H,40,45)(H,41,48)/t25-,26?,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50	-42.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9759 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:31:30:27.26:29| Show InChI InChI=1S/C40H58N6O8/c1-40(2,3)54-39(53)44-32(26-17-10-7-11-18-26)38(52)46-28-20-19-27(22-28)33(46)35(49)42-29(21-24-13-12-14-24)34(48)36(50)41-23-30(47)43-31(37(51)45(4)5)25-15-8-6-9-16-25/h6,8-9,15-16,24,26-29,31-33H,7,10-14,17-23H2,1-5H3,(H,41,50)(H,42,49)(H,43,47)(H,44,53)/t27?,28?,29?,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	-42.3	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM9757 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13,THB:6:8:11.10:13| Show InChI InChI=1S/C39H58N6O8/c1-23(2)20-28(33(47)35(49)40-22-29(46)42-30(36(50)44(6)7)24-14-10-8-11-15-24)41-34(48)32-26-18-19-27(21-26)45(32)37(51)31(25-16-12-9-13-17-25)43-38(52)53-39(3,4)5/h8,10-11,14-15,23,25-28,30-32H,9,12-13,16-22H2,1-7H3,(H,40,49)(H,41,48)(H,42,46)(H,43,52)/t26?,27?,28?,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-42.2	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12269 (1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C37H55N5O7/c1-8-15-26(31(44)33(46)38-20-27(43)39-22(2)23-16-11-9-12-17-23)40-32(45)30-28-25(37(28,6)7)21-42(30)34(47)29(24-18-13-10-14-19-24)41-35(48)49-36(3,4)5/h9,11-12,16-17,22,24-26,28-30H,8,10,13-15,18-21H2,1-7H3,(H,38,46)(H,39,43)(H,40,45)(H,41,48)/t22-,25+,26?,28+,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	-42.1	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM12267 (1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-6,6-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H53N5O7/c1-7-14-25(30(43)32(45)38-20-26(42)37-19-22-15-10-8-11-16-22)39-31(44)29-27-24(36(27,5)6)21-41(29)33(46)28(23-17-12-9-13-18-23)40-34(47)48-35(2,3)4/h8,10-11,15-16,23-25,27-29H,7,9,12-14,17-21H2,1-6H3,(H,37,42)(H,38,45)(H,39,44)(H,40,47)/t24-,25?,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	56	-42.1	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6
					More data for this Ligand-Target Pair

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