Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'charron' and Initial = 's'   

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
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182669 ((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182665 ((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-dif...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182666 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3Cl)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C34H38ClFN6O5/c1-3-21-16-22(7-6-20(21)2)37-27-18-28(43)41(34(47)38-27)11-5-4-10-39-12-14-40(15-13-39)31-26(36)17-24-30(29(31)35)42(23-8-9-23)19-25(32(24)44)33(45)46/h6-7,16-19,23,37H,3-5,8-15H2,1-2H3,(H,38,47)(H,45,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182667 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6,8-difluor...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3CO)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O6/c1-3-21-14-22(7-6-20(21)2)38-28-16-29(45)42(35(49)39-28)11-5-4-10-40-12-13-41(17-24(40)19-44)32-27(36)15-25-31(30(32)37)43(23-8-9-23)18-26(33(25)46)34(47)48/h6-7,14-16,18,23-24,38,44H,3-5,8-13,17,19H2,1-2H3,(H,39,49)(H,47,48)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182662 ((S)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182674 ((R)-3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluor...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C[C@H]3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)/t22-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182659 (3-{4-[1-(1-tert-butyl-3-carboxy-4-oxo-6-fluoro-7-q...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C(C)(C)C)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H43FN6O5/c1-6-23-17-24(10-9-22(23)2)37-30-20-31(43)41(34(47)38-30)12-8-7-11-39-13-15-40(16-14-39)29-19-28-25(18-27(29)36)32(44)26(33(45)46)21-42(28)35(3,4)5/h9-10,17-21,37H,6-8,11-16H2,1-5H3,(H,38,47)(H,45,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182663 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-8-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3OC)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O6/c1-4-22-17-23(8-7-21(22)2)37-28-19-29(43)41(35(47)38-28)12-6-5-11-39-13-15-40(16-14-39)31-27(36)18-25-30(33(31)48-3)42(24-9-10-24)20-26(32(25)44)34(45)46/h7-8,17-20,24,37H,4-6,9-16H2,1-3H3,(H,38,47)(H,45,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182673 (3-{4-[1-(1-(4-fluorophenyl)-3-carboxy-4-oxo-6-fluo...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H38F2N6O5/c1-3-24-18-26(9-6-23(24)2)40-33-21-34(46)44(37(50)41-33)13-5-4-12-42-14-16-43(17-15-42)32-20-31-28(19-30(32)39)35(47)29(36(48)49)22-45(31)27-10-7-25(38)8-11-27/h6-11,18-22,40H,3-5,12-17H2,1-2H3,(H,41,50)(H,48,49)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182676 (3-{4-[1-(1-{2,4-difluorophenyl}-3-carboxy-4-oxo-6-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)-c3ccc(F)cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H37F3N6O5/c1-3-23-16-25(8-6-22(23)2)41-33-20-34(47)45(37(51)42-33)11-5-4-10-43-12-14-44(15-13-43)32-19-31-26(18-29(32)40)35(48)27(36(49)50)21-46(31)30-9-7-24(38)17-28(30)39/h6-9,16-21,41H,3-5,10-15H2,1-2H3,(H,42,51)(H,49,50)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182672 (1-ethyl-7-(4-(4-(4-(3-ethyl-4-methylphenylamino)-2...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3nc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C32H38FN7O5/c1-4-21-16-22(9-8-20(21)3)34-26-18-27(41)40(32(45)35-26)11-7-6-10-37-12-14-39(15-13-37)30-25(33)17-23-28(42)24(31(43)44)19-38(5-2)29(23)36-30/h8-9,16-19,34H,4-7,10-15H2,1-3H3,(H,35,45)(H,43,44)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182671 (3-{5-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-3-23-17-24(8-7-22(23)2)37-31-20-32(43)41(35(47)38-31)12-6-4-5-11-39-13-15-40(16-14-39)30-19-29-26(18-28(30)36)33(44)27(34(45)46)21-42(29)25-9-10-25/h7-8,17-21,25,37H,3-6,9-16H2,1-2H3,(H,38,47)(H,45,46)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM21688 (1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H40F2N6O5/c1-4-22-15-23(8-7-20(22)2)38-28-17-29(44)42(35(48)39-28)12-6-5-11-40-13-14-41(18-21(40)3)32-27(36)16-25-31(30(32)37)43(24-9-10-24)19-26(33(25)45)34(46)47/h7-8,15-17,19,21,24,38H,4-6,9-14,18H2,1-3H3,(H,39,48)(H,46,47)	KEGG UniProtKB/SwissProt 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
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182670 (3-{4-[1-(1-ethyl-3-carboxy-4-oxo-6,8-difluoro-7-qu...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3c(F)cc4c(c3F)n(CC)cc(C(O)=O)c4=O)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C33H38F2N6O5/c1-4-21-16-22(9-8-20(21)3)36-26-18-27(42)41(33(46)37-26)11-7-6-10-38-12-14-40(15-13-38)30-25(34)17-23-29(28(30)35)39(5-2)19-24(31(23)43)32(44)45/h8-9,16-19,36H,4-7,10-15H2,1-3H3,(H,37,46)(H,44,45)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182668 (3-{4-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinol...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C33H39FN6O5/c1-4-22-16-23(9-8-21(22)3)35-29-19-30(41)40(33(45)36-29)11-7-6-10-37-12-14-39(15-13-37)28-18-27-24(17-26(28)34)31(42)25(32(43)44)20-38(27)5-2/h8-9,16-20,35H,4-7,10-15H2,1-3H3,(H,36,45)(H,43,44)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182675 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C34H39FN6O5/c1-3-22-16-23(7-6-21(22)2)36-30-19-31(42)40(34(46)37-30)11-5-4-10-38-12-14-39(15-13-38)29-18-28-25(17-27(29)35)32(43)26(33(44)45)20-41(28)24-8-9-24/h6-7,16-20,24,36H,3-5,8-15H2,1-2H3,(H,37,46)(H,44,45)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182656 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C35H41FN6O5/c1-4-23-15-24(8-7-21(23)2)37-31-18-32(43)41(35(47)38-31)12-6-5-11-39-13-14-40(19-22(39)3)30-17-29-26(16-28(30)36)33(44)27(34(45)46)20-42(29)25-9-10-25/h7-8,15-18,20,22,25,37H,4-6,9-14,19H2,1-3H3,(H,38,47)(H,45,46)	KEGG UniProtKB/SwissProt 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
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182657 (3-{5-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4OCCN(C4C3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H43FN6O6/c1-3-23-15-24(8-7-22(23)2)39-33-18-34(45)43(37(49)40-33)12-6-4-5-11-41-20-31-32(21-41)50-14-13-42(31)30-17-29-26(16-28(30)38)35(46)27(36(47)48)19-44(29)25-9-10-25/h7-8,15-19,25,31-32,39H,3-6,9-14,20-21H2,1-2H3,(H,40,49)(H,47,48)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182664 (3-{5-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinol...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(C4C3)c3cc4n(CC)cc(C(O)=O)c(=O)c4cc3F)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C37H45FN6O5/c1-4-24-16-26(12-11-23(24)3)39-33-19-34(45)44(37(49)40-33)14-8-6-7-13-41-20-25-10-9-15-43(32(25)22-41)31-18-30-27(17-29(31)38)35(46)28(36(47)48)21-42(30)5-2/h11-12,16-19,21,25,32,39H,4-10,13-15,20,22H2,1-3H3,(H,40,49)(H,47,48)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182658 (3-{5-[1-(1-cyclopropyl-3-carboxy-6-fluoro-4-oxo-7-...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCCN3CC4CCCN(C4C3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C38H45FN6O5/c1-3-24-16-26(10-9-23(24)2)40-34-19-35(46)44(38(50)41-34)14-6-4-5-13-42-20-25-8-7-15-43(33(25)22-42)32-18-31-28(17-30(32)39)36(47)29(37(48)49)21-45(31)27-11-12-27/h9-10,16-19,21,25,27,33,40H,3-8,11-15,20,22H2,1-2H3,(H,41,50)(H,48,49)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM21686 (3-(4-hydroxybutyl)-6-(3-ethyl-4-methylanilino)urac...) Show SMILES CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C Show InChI InChI=1S/C17H23N3O3/c1-3-13-10-14(7-6-12(13)2)18-15-11-16(22)20(17(23)19-15)8-4-5-9-21/h6-7,10-11,18,21H,3-5,8-9H2,1-2H3,(H,19,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182660 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES Cc1ccc(Nc2cc(=O)n(CCCCN3CCN(CC3)c3cc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)c(=O)[nH]2)cc1C Show InChI InChI=1S/C33H37FN6O5/c1-20-5-6-22(15-21(20)2)35-29-18-30(41)39(33(45)36-29)10-4-3-9-37-11-13-38(14-12-37)28-17-27-24(16-26(28)34)31(42)25(32(43)44)19-40(27)23-7-8-23/h5-6,15-19,23,35H,3-4,7-14H2,1-2H3,(H,36,45)(H,43,44)	KEGG UniProtKB/SwissProt 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
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
DNA polymerase III PolC-type (Bacillus subtilis)	BDBM50182661 (3-{4-[1-(1-cyclopropyl-3-carboxy-4-oxo-6-fluoro-7-...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCCCn4c(=O)cc(Nc5ccccc5)[nH]c4=O)CC3)c(F)cc2c1=O Show InChI InChI=1S/C31H33FN6O5/c32-24-16-22-25(38(21-8-9-21)19-23(29(22)40)30(41)42)17-26(24)36-14-12-35(13-15-36)10-4-5-11-37-28(39)18-27(34-31(37)43)33-20-6-2-1-3-7-20/h1-3,6-7,16-19,21,33H,4-5,8-15H2,(H,34,43)(H,41,42)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Binding affinity to Bacillus subtilis DNA polymerase3C				J Med Chem 49: 1455-65 (2006) Article DOI: 10.1021/jm0510023 BindingDB Entry DOI: 10.7270/Q23J3DR1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495931 (CHEMBL3348818) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CC)c1CCCCC2)C(C)(C)C |r,TLB:46:47:56:52.51| Show InChI InChI=1S/C48H66N6O9S/c1-7-29-26-48(29,44(57)52-64(59,60)47(6)20-21-47)51-41(55)37-25-33-27-54(37)43(56)40(46(3,4)5)50-45(58)63-38-22-28(38)14-10-9-11-16-35-39(34-15-12-13-17-36(34)49-42(35)62-33)61-32-23-30-18-19-31(24-32)53(30)8-2/h7,12-13,15,17,28-33,37-38,40H,1,8-11,14,16,18-27H2,2-6H3,(H,50,58)(H,51,55)(H,52,57)/t28-,29-,30-,31+,32+,33-,37+,38-,40-,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495935 (CHEMBL3120475) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCNCC3)c1CCCCC2 |r| Show InChI InChI=1S/C46H62N6O9S/c1-3-30-26-46(30,43(55)51-62(57,58)45(2)20-21-45)50-40(53)36-25-32-27-52(36)42(54)38(28-12-6-4-7-13-28)49-44(56)61-37-24-29(37)14-8-5-9-16-34-39(59-31-18-22-47-23-19-31)33-15-10-11-17-35(33)48-41(34)60-32/h3,10-11,15,17,28-32,36-38,47H,1,4-9,12-14,16,18-27H2,2H3,(H,49,56)(H,50,53)(H,51,55)/t29-,30-,32-,36+,37-,38+,46-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495928 (CHEMBL3349199) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C48H64N6O9S/c1-3-30-26-48(30,45(57)53-64(59,60)47(2)20-21-47)52-42(55)38-25-34-27-54(38)44(56)40(28-12-6-4-7-13-28)51-46(58)63-39-22-29(39)14-8-5-9-16-36-41(61-33-23-31-18-19-32(24-33)49-31)35-15-10-11-17-37(35)50-43(36)62-34/h3,10-11,15,17,28-34,38-40,49H,1,4-9,12-14,16,18-27H2,2H3,(H,51,58)(H,52,55)(H,53,57)/t29-,30-,31-,32+,33+,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495927 (CHEMBL3348817) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CCOC)c1CCCCC2)C(C)(C)C |r,TLB:46:47:56:51.52| Show InChI InChI=1S/C49H68N6O10S/c1-7-30-27-49(30,45(58)53-66(60,61)48(5)19-20-48)52-42(56)38-26-34-28-55(38)44(57)41(47(2,3)4)51-46(59)65-39-23-29(39)13-9-8-10-15-36-40(35-14-11-12-16-37(35)50-43(36)64-34)63-33-24-31-17-18-32(25-33)54(31)21-22-62-6/h7,11-12,14,16,29-34,38-39,41H,1,8-10,13,15,17-28H2,2-6H3,(H,51,59)(H,52,56)(H,53,58)/t29-,30-,31-,32+,33+,34-,38+,39-,41-,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495924 (CHEMBL3120477) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CC4CC4)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C50H68N6O9S/c1-3-34-28-50(34,47(59)54-66(61,62)49(2)22-23-49)53-44(57)40-27-36-30-56(40)46(58)42(32-12-6-4-7-13-32)52-48(60)65-41-26-33(41)14-8-5-9-16-38-43(37-15-10-11-17-39(37)51-45(38)64-36)63-35-20-24-55(25-21-35)29-31-18-19-31/h3,10-11,15,17,31-36,40-42H,1,4-9,12-14,16,18-30H2,2H3,(H,52,60)(H,53,57)(H,54,59)/t33-,34-,36-,40+,41-,42+,50-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495931 (CHEMBL3348818) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CC)c1CCCCC2)C(C)(C)C |r,TLB:46:47:56:52.51| Show InChI InChI=1S/C48H66N6O9S/c1-7-29-26-48(29,44(57)52-64(59,60)47(6)20-21-47)51-41(55)37-25-33-27-54(37)43(56)40(46(3,4)5)50-45(58)63-38-22-28(38)14-10-9-11-16-35-39(34-15-12-13-17-36(34)49-42(35)62-33)61-32-23-30-18-19-31(24-32)53(30)8-2/h7,12-13,15,17,28-33,37-38,40H,1,8-11,14,16,18-27H2,2-6H3,(H,50,58)(H,51,55)(H,52,57)/t28-,29-,30-,31+,32+,33-,37+,38-,40-,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495936 (CHEMBL3120492) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCN3CCN(C)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C49H69N7O9S/c1-4-34-30-49(34,46(59)53-66(61,62)48(2)20-21-48)52-43(57)39-29-35-31-56(39)45(58)41(32-14-7-5-8-15-32)51-47(60)65-40-28-33(40)16-9-6-10-18-37-42(36-17-11-12-19-38(36)50-44(37)64-35)63-27-13-22-55-25-23-54(3)24-26-55/h4,11-12,17,19,32-35,39-41H,1,5-10,13-16,18,20-31H2,2-3H3,(H,51,60)(H,52,57)(H,53,59)/t33-,34-,35-,39+,40-,41+,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495928 (CHEMBL3349199) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C48H64N6O9S/c1-3-30-26-48(30,45(57)53-64(59,60)47(2)20-21-47)52-42(55)38-25-34-27-54(38)44(56)40(28-12-6-4-7-13-28)51-46(58)63-39-22-29(39)14-8-5-9-16-36-41(61-33-23-31-18-19-32(24-33)49-31)35-15-10-11-17-37(35)50-43(36)62-34/h3,10-11,15,17,28-34,38-40,49H,1,4-9,12-14,16,18-27H2,2H3,(H,51,58)(H,52,55)(H,53,57)/t29-,30-,31-,32+,33+,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495943 (CHEMBL3349202) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CCOC)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C51H70N6O10S/c1-4-33-29-51(33,48(60)55-68(62,63)50(2)21-22-50)54-45(58)41-28-37-30-57(41)47(59)43(31-13-7-5-8-14-31)53-49(61)67-42-25-32(42)15-9-6-10-17-39-44(38-16-11-12-18-40(38)52-46(39)66-37)65-36-26-34-19-20-35(27-36)56(34)23-24-64-3/h4,11-12,16,18,31-37,41-43H,1,5-10,13-15,17,19-30H2,2-3H3,(H,53,61)(H,54,58)(H,55,60)/t32-,33-,34-,35+,36+,37-,41+,42-,43+,51-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495927 (CHEMBL3348817) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CCOC)c1CCCCC2)C(C)(C)C |r,TLB:46:47:56:51.52| Show InChI InChI=1S/C49H68N6O10S/c1-7-30-27-49(30,45(58)53-66(60,61)48(5)19-20-48)52-42(56)38-26-34-28-55(38)44(57)41(47(2,3)4)51-46(59)65-39-23-29(39)13-9-8-10-15-36-40(35-14-11-12-16-37(35)50-43(36)64-34)63-33-24-31-17-18-32(25-33)54(31)21-22-62-6/h7,11-12,14,16,29-34,38-39,41H,1,8-10,13,15,17-28H2,2-6H3,(H,51,59)(H,52,56)(H,53,58)/t29-,30-,31-,32+,33+,34-,38+,39-,41-,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495929 (CHEMBL3120493) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(C)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C47H64N6O9S/c1-4-31-27-47(31,44(56)51-63(58,59)46(2)21-22-46)50-41(54)37-26-33-28-53(37)43(55)39(29-13-7-5-8-14-29)49-45(57)62-38-25-30(38)15-9-6-10-17-35-40(60-32-19-23-52(3)24-20-32)34-16-11-12-18-36(34)48-42(35)61-33/h4,11-12,16,18,29-33,37-39H,1,5-10,13-15,17,19-28H2,2-3H3,(H,49,57)(H,50,54)(H,51,56)/t30-,31-,33-,37+,38-,39+,47-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C Virus)	BDBM50495928 (CHEMBL3349199) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C48H64N6O9S/c1-3-30-26-48(30,45(57)53-64(59,60)47(2)20-21-47)52-42(55)38-25-34-27-54(38)44(56)40(28-12-6-4-7-13-28)51-46(58)63-39-22-29(39)14-8-5-9-16-36-41(61-33-23-31-18-19-32(24-33)49-31)35-15-10-11-17-37(35)50-43(36)62-34/h3,10-11,15,17,28-34,38-40,49H,1,4-9,12-14,16,18-27H2,2H3,(H,51,58)(H,52,55)(H,53,57)/t29-,30-,31-,32+,33+,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156T mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495935 (CHEMBL3120475) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCNCC3)c1CCCCC2 |r| Show InChI InChI=1S/C46H62N6O9S/c1-3-30-26-46(30,43(55)51-62(57,58)45(2)20-21-45)50-40(53)36-25-32-27-52(36)42(54)38(28-12-6-4-7-13-28)49-44(56)61-37-24-29(37)14-8-5-9-16-34-39(59-31-18-22-47-23-19-31)33-15-10-11-17-35(33)48-41(34)60-32/h3,10-11,15,17,28-32,36-38,47H,1,4-9,12-14,16,18-27H2,2H3,(H,49,56)(H,50,53)(H,51,55)/t29-,30-,32-,36+,37-,38+,46-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495941 (CHEMBL3349203) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4C)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C49H66N6O9S/c1-4-31-27-49(31,46(58)53-65(60,61)48(2)21-22-48)52-43(56)39-26-35-28-55(39)45(57)41(29-13-7-5-8-14-29)51-47(59)64-40-23-30(40)15-9-6-10-17-37-42(36-16-11-12-18-38(36)50-44(37)63-35)62-34-24-32-19-20-33(25-34)54(32)3/h4,11-12,16,18,29-35,39-41H,1,5-10,13-15,17,19-28H2,2-3H3,(H,51,59)(H,52,56)(H,53,58)/t30-,31-,32-,33+,34+,35-,39+,40-,41+,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495942 (CHEMBL3120488) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CCC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-3-32-28-48(32,45(57)53-64(59,60)47(2)22-23-47)52-42(55)38-27-34-29-54(38)44(56)40(30-14-6-4-7-15-30)51-46(58)63-39-26-31(39)16-8-5-9-20-36-41(61-25-13-24-49-33-17-12-18-33)35-19-10-11-21-37(35)50-43(36)62-34/h3,10-11,19,21,30-34,38-40,49H,1,4-9,12-18,20,22-29H2,2H3,(H,51,58)(H,52,55)(H,53,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495934 (CHEMBL3120476) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H66N6O9S/c1-4-32-28-48(32,45(57)52-64(59,60)47(3)22-23-47)51-42(55)38-27-34-29-54(38)44(56)40(30-14-8-6-9-15-30)50-46(58)63-39-26-31(39)16-10-7-11-18-36-41(61-33-20-24-53(5-2)25-21-33)35-17-12-13-19-37(35)49-43(36)62-34/h4,12-13,17,19,30-34,38-40H,1,5-11,14-16,18,20-29H2,2-3H3,(H,50,58)(H,51,55)(H,52,57)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495924 (CHEMBL3120477) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CC4CC4)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C50H68N6O9S/c1-3-34-28-50(34,47(59)54-66(61,62)49(2)22-23-49)53-44(57)40-27-36-30-56(40)46(58)42(32-12-6-4-7-13-32)52-48(60)65-41-26-33(41)14-8-5-9-16-38-43(37-15-10-11-17-39(37)51-45(38)64-36)63-35-20-24-55(25-21-35)29-31-18-19-31/h3,10-11,15,17,31-36,40-42H,1,4-9,12-14,16,18-30H2,2H3,(H,52,60)(H,53,57)(H,54,59)/t33-,34-,36-,40+,41-,42+,50-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495932 (CHEMBL3349201) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@H]3C[C@]4([H])CC[C@]([H])(C3)N4CC)c1CCCCC2)C(C)(C)C |r,TLB:46:47:56:52.51| Show InChI InChI=1S/C48H66N6O9S/c1-7-29-26-48(29,44(57)52-64(59,60)47(6)20-21-47)51-41(55)37-25-33-27-54(37)43(56)40(46(3,4)5)50-45(58)63-38-22-28(38)14-10-9-11-16-35-39(34-15-12-13-17-36(34)49-42(35)62-33)61-32-23-30-18-19-31(24-32)53(30)8-2/h7,12-13,15,17,28-33,37-38,40H,1,8-11,14,16,18-27H2,2-6H3,(H,50,58)(H,51,55)(H,52,57)/t28-,29-,30-,31+,32-,33-,37+,38-,40-,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495928 (CHEMBL3349199) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4)c1CCCCC2 |r,TLB:52:53:62:57.58| Show InChI InChI=1S/C48H64N6O9S/c1-3-30-26-48(30,45(57)53-64(59,60)47(2)20-21-47)52-42(55)38-25-34-27-54(38)44(56)40(28-12-6-4-7-13-28)51-46(58)63-39-22-29(39)14-8-5-9-16-36-41(61-33-23-31-18-19-32(24-33)49-31)35-15-10-11-17-37(35)50-43(36)62-34/h3,10-11,15,17,28-34,38-40,49H,1,4-9,12-14,16,18-27H2,2H3,(H,51,58)(H,52,55)(H,53,57)/t29-,30-,31-,32+,33+,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156V mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495926 (CHEMBL3120482) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CCF)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C48H65FN6O9S/c1-3-32-28-48(32,45(58)53-65(60,61)47(2)20-21-47)52-42(56)38-27-34-29-55(38)44(57)40(30-12-6-4-7-13-30)51-46(59)64-39-26-31(39)14-8-5-9-16-36-41(62-33-18-23-54(24-19-33)25-22-49)35-15-10-11-17-37(35)50-43(36)63-34/h3,10-11,15,17,30-34,38-40H,1,4-9,12-14,16,18-29H2,2H3,(H,51,59)(H,52,56)(H,53,58)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C Virus)	BDBM50495945 (CHEMBL3120479) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CCOC(F)(F)F)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C49H65F3N6O10S/c1-3-32-28-48(32,45(61)56-69(63,64)47(2)20-21-47)55-42(59)38-27-34-29-58(38)44(60)40(30-12-6-4-7-13-30)54-46(62)68-39-26-31(39)14-8-5-9-16-36-41(35-15-10-11-17-37(35)53-43(36)67-34)66-33-18-22-57(23-19-33)24-25-65-49(50,51)52/h3,10-11,15,17,30-34,38-40H,1,4-9,12-14,16,18-29H2,2H3,(H,54,62)(H,55,59)(H,56,61)/t31-,32-,34-,38+,39-,40+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495925 (CHEMBL3120478) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CCOC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C49H68N6O10S/c1-4-33-29-49(33,46(58)53-66(60,61)48(2)21-22-48)52-43(56)39-28-35-30-55(39)45(57)41(31-13-7-5-8-14-31)51-47(59)65-40-27-32(40)15-9-6-10-17-37-42(36-16-11-12-18-38(36)50-44(37)64-35)63-34-19-23-54(24-20-34)25-26-62-3/h4,11-12,16,18,31-35,39-41H,1,5-10,13-15,17,19-30H2,2-3H3,(H,51,59)(H,52,56)(H,53,58)/t32-,33-,35-,39+,40-,41+,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495938 (CHEMBL3120489) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCN3CC(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C47H63FN6O9S/c1-3-31-25-47(31,44(57)52-64(59,60)46(2)19-20-46)51-41(55)37-24-33-28-54(37)43(56)39(29-13-6-4-7-14-29)50-45(58)63-38-23-30(38)15-8-5-9-17-35-40(61-22-12-21-53-26-32(48)27-53)34-16-10-11-18-36(34)49-42(35)62-33/h3,10-11,16,18,29-33,37-39H,1,4-9,12-15,17,19-28H2,2H3,(H,50,58)(H,51,55)(H,52,57)/t30-,31-,33-,37+,38-,39+,47-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495925 (CHEMBL3120478) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OC3CCN(CCOC)CC3)c1CCCCC2 |r| Show InChI InChI=1S/C49H68N6O10S/c1-4-33-29-49(33,46(58)53-66(60,61)48(2)21-22-48)52-43(56)39-28-35-30-55(39)45(57)41(31-13-7-5-8-14-31)51-47(59)65-40-27-32(40)15-9-6-10-17-37-42(36-16-11-12-18-38(36)50-44(37)64-35)63-34-19-23-54(24-20-34)25-26-62-3/h4,11-12,16,18,31-35,39-41H,1,5-10,13-15,17,19-30H2,2-3H3,(H,51,59)(H,52,56)(H,53,58)/t32-,33-,35-,39+,40-,41+,49-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus)	BDBM50495939 (CHEMBL3120169) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(OCCCNC3CC(F)(F)C3)c1CCCCC2 |r| Show InChI InChI=1S/C48H64F2N6O9S/c1-3-31-25-48(31,44(59)55-66(61,62)46(2)19-20-46)54-41(57)37-24-33-28-56(37)43(58)39(29-13-6-4-7-14-29)53-45(60)65-38-23-30(38)15-8-5-9-17-35-40(34-16-10-11-18-36(34)52-42(35)64-33)63-22-12-21-51-32-26-47(49,50)27-32/h3,10-11,16,18,29-33,37-39,51H,1,4-9,12-15,17,19-28H2,2H3,(H,53,60)(H,54,57)(H,55,59)/t30-,31-,33-,37+,38-,39+,48-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as...				ACS Med Chem Lett 5: 264-9 (2014) Article DOI: 10.1021/ml400466p BindingDB Entry DOI: 10.7270/Q22R3VNT
					More data for this Ligand-Target Pair

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