Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50012901   

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)	BDBM50124048 (2-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C39H46BF3N6O7/c1-7-29(40-55-30-25-16-23(36(25,2)3)17-38(30,5)56-40)47-31(50)28-18-37(4,48-35(53)46-26-14-9-8-13-24(26)33(52)54-6)34-45-20-27(32(51)49(28)34)44-19-21-11-10-12-22(15-21)39(41,42)43/h8-15,20,23,25,28-30,44H,7,16-19H2,1-6H3,(H,47,50)(H2,46,48,53)/t23?,25?,28-,29-,30?,37+,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124044 ((S)-8-Methyl-8-[(3-methylsulfanyl-phenylcarbamoyl)...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C39H47BF3N5O5S/c1-7-30(40-52-32-27-15-24(36(27,2)3)17-38(32,5)53-40)47-33(50)29-18-37(4,19-31(49)46-25-12-9-13-26(16-25)54-6)35-45-21-28(34(51)48(29)35)44-20-22-10-8-11-23(14-22)39(41,42)43/h8-14,16,21,24,27,29-30,32,44H,7,15,17-20H2,1-6H3,(H,46,49)(H,47,50)/t24?,27?,29-,30-,32?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124056 (2-((S)-2-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C40H47BF3N5O7/c1-7-30(41-55-32-26-16-24(37(26,2)3)17-39(32,5)56-41)48-33(51)29-18-38(4,19-31(50)47-27-14-9-8-13-25(27)35(53)54-6)36-46-21-28(34(52)49(29)36)45-20-22-11-10-12-23(15-22)40(42,43)44/h8-15,21,24,26,29-30,32,45H,7,16-20H2,1-6H3,(H,47,50)(H,48,51)/t24?,26?,29-,30-,32?,38-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124063 (2-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2OC3C4CC(C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C40H48BF3N6O7/c1-7-30(41-56-31-26-17-24(37(26,3)4)18-39(31,6)57-41)48-32(51)29-19-38(5,49-36(54)47-27-15-10-9-14-25(27)34(53)55-8-2)35-46-21-28(33(52)50(29)35)45-20-22-12-11-13-23(16-22)40(42,43)44/h9-16,21,24,26,29-31,45H,7-8,17-20H2,1-6H3,(H,48,51)(H2,47,49,54)/t24?,26?,29-,30-,31?,38+,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124055 ((S)-8-Methyl-8-[(R)-3-(3-methylsulfanyl-phenyl)-ur...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O5S/c1-7-29(39-52-30-26-15-23(35(26,2)3)17-37(30,5)53-39)46-31(49)28-18-36(4,47-34(51)45-24-12-9-13-25(16-24)54-6)33-44-20-27(32(50)48(28)33)43-19-21-10-8-11-22(14-21)38(40,41)42/h8-14,16,20,23,26,28-30,43H,7,15,17-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,26?,28-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124049 ((S)-8-[(2-Carbamoyl-phenylcarbamoyl)-methyl]-8-met...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C39H46BF3N6O6/c1-6-29(40-54-31-25-15-23(36(25,2)3)16-38(31,5)55-40)48-33(52)28-17-37(4,18-30(50)47-26-13-8-7-12-24(26)32(44)51)35-46-20-27(34(53)49(28)35)45-19-21-10-9-11-22(14-21)39(41,42)43/h7-14,20,23,25,28-29,31,45H,6,15-19H2,1-5H3,(H2,44,51)(H,47,50)(H,48,52)/t23?,25?,28-,29-,31?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124039 ((S)-8-[(R)-3-(2-Ethoxy-phenyl)-ureido]-8-methyl-4-...) Show SMILES CCOc1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2OC3C4CC(C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(c1)C(F)(F)F)c2=O Show InChI InChI=1S/C39H48BF3N6O6/c1-7-30(40-54-31-25-17-24(36(25,3)4)18-38(31,6)55-40)47-32(50)28-19-37(5,48-35(52)46-26-14-9-10-15-29(26)53-8-2)34-45-21-27(33(51)49(28)34)44-20-22-12-11-13-23(16-22)39(41,42)43/h9-16,21,24-25,28,30-31,44H,7-8,17-20H2,1-6H3,(H,47,50)(H2,46,48,52)/t24?,25?,28-,30-,31?,37+,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124035 ((S)-8-Methyl-4-oxo-8-((S)-phenylcarbamoylmethyl)-3...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H45BF3N5O5/c1-6-29(39-51-31-26-16-24(35(26,2)3)17-37(31,5)52-39)46-32(49)28-18-36(4,19-30(48)45-25-13-8-7-9-14-25)34-44-21-27(33(50)47(28)34)43-20-22-11-10-12-23(15-22)38(40,41)42/h7-15,21,24,26,28-29,31,43H,6,16-20H2,1-5H3,(H,45,48)(H,46,49)/t24?,26?,28-,29-,31?,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124042 ((S)-8-Methyl-8-((S)-naphthalen-1-ylcarbamoylmethyl...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C42H47BF3N5O5/c1-6-33(43-55-35-29-18-27(39(29,2)3)19-41(35,5)56-43)50-36(53)32-20-40(4,21-34(52)49-30-16-10-13-25-12-7-8-15-28(25)30)38-48-23-31(37(54)51(32)38)47-22-24-11-9-14-26(17-24)42(44,45)46/h7-17,23,27,29,32-33,35,47H,6,18-22H2,1-5H3,(H,49,52)(H,50,53)/t27?,29?,32-,33-,35?,40-,41-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124057 ((S)-8-Methyl-8-[(R)-3-(2-nitro-phenyl)-ureido]-4-o...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2[N+]([O-])=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BF3N7O7/c1-6-28(38-54-29-23-15-22(34(23,2)3)16-36(29,5)55-38)45-30(49)27-17-35(4,46-33(51)44-24-12-7-8-13-26(24)48(52)53)32-43-19-25(31(50)47(27)32)42-18-20-10-9-11-21(14-20)37(39,40)41/h7-14,19,22-23,27-29,42H,6,15-18H2,1-5H3,(H,45,49)(H2,44,46,51)/t22?,23?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124034 ((S)-8-Methyl-8-[(2-methylcarbamoyl-phenylcarbamoyl...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)NC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C40H48BF3N6O6/c1-7-30(41-55-32-26-16-24(37(26,2)3)17-39(32,5)56-41)49-34(53)29-18-38(4,19-31(51)48-27-14-9-8-13-25(27)33(52)45-6)36-47-21-28(35(54)50(29)36)46-20-22-11-10-12-23(15-22)40(42,43)44/h8-15,21,24,26,29-30,32,46H,7,16-20H2,1-6H3,(H,45,52)(H,48,51)(H,49,53)/t24?,26?,29-,30-,32?,38-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124038 ((S)-8-[(2-Methoxy-phenylcarbamoyl)-methyl]-8-methy...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C39H47BF3N5O6/c1-7-30(40-53-32-25-16-24(36(25,2)3)17-38(32,5)54-40)47-33(50)28-18-37(4,19-31(49)46-26-13-8-9-14-29(26)52-6)35-45-21-27(34(51)48(28)35)44-20-22-11-10-12-23(15-22)39(41,42)43/h8-15,21,24-25,28,30,32,44H,7,16-20H2,1-6H3,(H,46,49)(H,47,50)/t24?,25?,28-,30-,32?,37-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124053 ((S)-8-Methyl-8-((R)-3-naphthalen-1-yl-ureido)-4-ox...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C41H46BF3N6O5/c1-6-32(42-55-33-28-18-26(38(28,2)3)19-40(33,5)56-42)49-34(52)31-20-39(4,50-37(54)48-29-16-10-13-24-12-7-8-15-27(24)29)36-47-22-30(35(53)51(31)36)46-21-23-11-9-14-25(17-23)41(43,44)45/h7-17,22,26,28,31-33,46H,6,18-21H2,1-5H3,(H,49,52)(H2,48,50,54)/t26?,28?,31-,32-,33?,39+,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124043 ((S)-8-Methyl-4-oxo-8-[(R)-3-(2-phenoxy-phenyl)-ure...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Oc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C43H48BF3N6O6/c1-6-34(44-58-35-29-20-27(40(29,2)3)21-42(35,5)59-44)51-36(54)32-22-41(4,52-39(56)50-30-17-10-11-18-33(30)57-28-15-8-7-9-16-28)38-49-24-31(37(55)53(32)38)48-23-25-13-12-14-26(19-25)43(45,46)47/h7-19,24,27,29,32,34-35,48H,6,20-23H2,1-5H3,(H,51,54)(H2,50,52,56)/t27?,29?,32-,34-,35?,41+,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124036 ((S)-8-[(R)-3-(2-Methoxy-phenyl)-ureido]-8-methyl-4...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O6/c1-7-29(39-53-30-24-16-23(35(24,2)3)17-37(30,5)54-39)46-31(49)27-18-36(4,47-34(51)45-25-13-8-9-14-28(25)52-6)33-44-20-26(32(50)48(27)33)43-19-21-11-10-12-22(15-21)38(40,41)42/h8-15,20,23-24,27,29-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,24?,27-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124040 ((S)-8-[(R)-3-(2-Chloro-phenyl)-ureido]-8-methyl-4-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Cl)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BClF3N6O5/c1-6-28(38-52-29-23-15-22(34(23,2)3)16-36(29,5)53-38)46-30(49)27-17-35(4,47-33(51)45-25-13-8-7-12-24(25)39)32-44-19-26(31(50)48(27)32)43-18-20-10-9-11-21(14-20)37(40,41)42/h7-14,19,22-23,27-29,43H,6,15-18H2,1-5H3,(H,46,49)(H2,45,47,51)/t22?,23?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124033 ((S)-8-((S)-Isoquinolin-1-ylcarbamoylmethyl)-8-meth...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2nccc3ccccc23)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C41H46BF3N6O5/c1-6-31(42-55-33-28-17-26(38(28,2)3)18-40(33,5)56-42)49-35(53)30-19-39(4,20-32(52)50-34-27-13-8-7-11-24(27)14-15-46-34)37-48-22-29(36(54)51(30)37)47-21-23-10-9-12-25(16-23)41(43,44)45/h7-16,22,26,28,30-31,33,47H,6,17-21H2,1-5H3,(H,49,53)(H,46,50,52)/t26?,28?,30-,31-,33?,39-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124062 ((S)-8-[(R)-3-(3-Fluoro-phenyl)-ureido]-8-methyl-4-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(F)c2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BF4N6O5/c1-6-28(38-52-29-25-14-22(34(25,2)3)16-36(29,5)53-38)46-30(49)27-17-35(4,47-33(51)45-24-12-8-11-23(39)15-24)32-44-19-26(31(50)48(27)32)43-18-20-9-7-10-21(13-20)37(40,41)42/h7-13,15,19,22,25,27-29,43H,6,14,16-18H2,1-5H3,(H,46,49)(H2,45,47,51)/t22?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124066 ((S)-8-Methyl-8-[(R)-3-(2-methylsulfanyl-phenyl)-ur...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O5S/c1-7-29(39-52-30-24-16-23(35(24,2)3)17-37(30,5)53-39)46-31(49)27-18-36(4,47-34(51)45-25-13-8-9-14-28(25)54-6)33-44-20-26(32(50)48(27)33)43-19-21-11-10-12-22(15-21)38(40,41)42/h8-15,20,23-24,27,29-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,24?,27-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124046 ((S)-8-Methyl-4-oxo-8-((R)-3-o-tolyl-ureido)-3-(3-t...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O5/c1-7-29(39-52-30-25-16-24(35(25,3)4)17-37(30,6)53-39)46-31(49)28-18-36(5,47-34(51)45-26-14-9-8-11-21(26)2)33-44-20-27(32(50)48(28)33)43-19-22-12-10-13-23(15-22)38(40,41)42/h8-15,20,24-25,28-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t24?,25?,28-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124052 ((S)-8-Methyl-4-oxo-8-((R)-3-phenyl-ureido)-3-(3-tr...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H44BF3N6O5/c1-6-28(38-51-29-25-16-23(34(25,2)3)17-36(29,5)52-38)45-30(48)27-18-35(4,46-33(50)44-24-13-8-7-9-14-24)32-43-20-26(31(49)47(27)32)42-19-21-11-10-12-22(15-21)37(39,40)41/h7-15,20,23,25,27-29,42H,6,16-19H2,1-5H3,(H,45,48)(H2,44,46,50)/t23?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124058 ((S)-8-[(R)-3-(4-Fluoro-phenyl)-ureido]-8-methyl-4-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(F)cc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BF4N6O5/c1-6-28(38-52-29-25-15-22(34(25,2)3)16-36(29,5)53-38)46-30(49)27-17-35(4,47-33(51)45-24-12-10-23(39)11-13-24)32-44-19-26(31(50)48(27)32)43-18-20-8-7-9-21(14-20)37(40,41)42/h7-14,19,22,25,27-29,43H,6,15-18H2,1-5H3,(H,46,49)(H2,45,47,51)/t22?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124067 (4-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3OC4C5CC(C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(c2)C(F)(F)F)c3=O)cc1 Show InChI InChI=1S/C40H48BF3N6O7/c1-7-30(41-56-31-27-17-25(37(27,3)4)18-39(31,6)57-41)48-32(51)29-19-38(5,49-36(54)47-26-14-12-23(13-15-26)34(53)55-8-2)35-46-21-28(33(52)50(29)35)45-20-22-10-9-11-24(16-22)40(42,43)44/h9-16,21,25,27,29-31,45H,7-8,17-20H2,1-6H3,(H,48,51)(H2,47,49,54)/t25?,27?,29-,30-,31?,38+,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124069 ((S)-8-[(R)-3-(4-Chloro-phenyl)-ureido]-8-methyl-4-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Cl)cc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BClF3N6O5/c1-6-28(38-52-29-25-15-22(34(25,2)3)16-36(29,5)53-38)46-30(49)27-17-35(4,47-33(51)45-24-12-10-23(39)11-13-24)32-44-19-26(31(50)48(27)32)43-18-20-8-7-9-21(14-20)37(40,41)42/h7-14,19,22,25,27-29,43H,6,15-18H2,1-5H3,(H,46,49)(H2,45,47,51)/t22?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124047 ((S)-8-((R)-3-Benzyl-ureido)-8-methyl-4-oxo-3-(3-tr...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NCc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O5/c1-6-29(39-52-30-26-16-25(35(26,2)3)17-37(30,5)53-39)46-31(49)28-18-36(4,47-34(51)45-19-22-11-8-7-9-12-22)33-44-21-27(32(50)48(28)33)43-20-23-13-10-14-24(15-23)38(40,41)42/h7-15,21,25-26,28-30,43H,6,16-20H2,1-5H3,(H,46,49)(H2,45,47,51)/t25?,26?,28-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124061 (CHEMBL164441 | {(S)-8-Methyl-4-oxo-3-(3-trifluorom...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BF3N5O6/c1-6-28(38-51-29-25-16-23(34(25,2)3)17-36(29,5)52-38)44-30(47)27-18-35(4,45-33(49)50-24-13-8-7-9-14-24)32-43-20-26(31(48)46(27)32)42-19-21-11-10-12-22(15-21)37(39,40)41/h7-15,20,23,25,27-29,42H,6,16-19H2,1-5H3,(H,44,47)(H,45,49)/t23?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124045 ((S)-8-Methyl-8-[(2-dimethylcarbamoyl-phenylcarbamo...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)N(C)C)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C41H50BF3N6O6/c1-8-31(42-56-33-27-17-25(38(27,2)3)18-40(33,5)57-42)49-34(53)30-19-39(4,20-32(52)48-28-15-10-9-14-26(28)35(54)50(6)7)37-47-22-29(36(55)51(30)37)46-21-23-12-11-13-24(16-23)41(43,44)45/h9-16,22,25,27,30-31,33,46H,8,17-21H2,1-7H3,(H,48,52)(H,49,53)/t25?,27?,30-,31-,33?,39-,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124041 (3-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CCOC(=O)c1cccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3OC4C5CC(C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(c2)C(F)(F)F)c3=O)c1 Show InChI InChI=1S/C40H48BF3N6O7/c1-7-30(41-56-31-27-17-25(37(27,3)4)18-39(31,6)57-41)48-32(51)29-19-38(5,49-36(54)47-26-14-10-12-23(16-26)34(53)55-8-2)35-46-21-28(33(52)50(29)35)45-20-22-11-9-13-24(15-22)40(42,43)44/h9-16,21,25,27,29-31,45H,7-8,17-20H2,1-6H3,(H,48,51)(H2,47,49,54)/t25?,27?,29-,30-,31?,38+,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124050 (3-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(c2)C(=O)OC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C39H46BF3N6O7/c1-7-29(40-55-30-26-16-24(36(26,2)3)17-38(30,5)56-40)47-31(50)28-18-37(4,48-35(53)46-25-13-9-11-22(15-25)33(52)54-6)34-45-20-27(32(51)49(28)34)44-19-21-10-8-12-23(14-21)39(41,42)43/h8-15,20,24,26,28-30,44H,7,16-19H2,1-6H3,(H,47,50)(H2,46,48,53)/t24?,26?,28-,29-,30?,37+,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124054 ((S)-8-Methyl-8-[(R)-3-(4-methylsulfanyl-phenyl)-ur...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(SC)cc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H46BF3N6O5S/c1-7-29(39-52-30-26-16-23(35(26,2)3)17-37(30,5)53-39)46-31(49)28-18-36(4,47-34(51)45-24-11-13-25(54-6)14-12-24)33-44-20-27(32(50)48(28)33)43-19-21-9-8-10-22(15-21)38(40,41)42/h8-15,20,23,26,28-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,26?,28-,29-,30?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124059 ((S)-8-Methyl-4-oxo-8-((R)-phenylacetylamino)-3-(3-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Cc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H45BF3N5O5/c1-6-29(39-51-31-26-17-25(35(26,2)3)18-37(31,5)52-39)45-32(49)28-19-36(4,46-30(48)16-22-11-8-7-9-12-22)34-44-21-27(33(50)47(28)34)43-20-23-13-10-14-24(15-23)38(40,41)42/h7-15,21,25-26,28-29,31,43H,6,16-20H2,1-5H3,(H,45,49)(H,46,48)/t25?,26?,28-,29-,31?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124037 ((S)-8-Methyl-8-[(2-nitro-phenylcarbamoyl)-methyl]-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+]([O-])=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H44BF3N6O7/c1-6-29(39-54-31-24-15-23(35(24,2)3)16-37(31,5)55-39)46-32(50)28-17-36(4,18-30(49)45-25-12-7-8-13-27(25)48(52)53)34-44-20-26(33(51)47(28)34)43-19-21-10-9-11-22(14-21)38(40,41)42/h7-14,20,23-24,28-29,31,43H,6,15-19H2,1-5H3,(H,45,49)(H,46,50)/t23?,24?,28-,29-,31?,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124051 ((S)-8-((R)-Benzoylamino)-8-methyl-4-oxo-3-(3-trifl...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)c2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C37H43BF3N5O5/c1-6-28(38-50-29-25-16-24(34(25,2)3)17-36(29,5)51-38)44-31(48)27-18-35(4,45-30(47)22-12-8-7-9-13-22)33-43-20-26(32(49)46(27)33)42-19-21-11-10-14-23(15-21)37(39,40)41/h7-15,20,24-25,27-29,42H,6,16-19H2,1-5H3,(H,44,48)(H,45,47)/t24?,25?,27-,28-,29?,35+,36-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124068 ((S)-8-Methyl-4-oxo-8-[(R)-3-(4-phenoxy-phenyl)-ure...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C43H48BF3N6O6/c1-6-34(44-58-35-31-20-27(40(31,2)3)21-42(35,5)59-44)51-36(54)33-22-41(4,52-39(56)50-28-15-17-30(18-16-28)57-29-13-8-7-9-14-29)38-49-24-32(37(55)53(33)38)48-23-25-11-10-12-26(19-25)43(45,46)47/h7-19,24,27,31,33-35,48H,6,20-23H2,1-5H3,(H,51,54)(H2,50,52,56)/t27?,31?,33-,34-,35?,41+,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124065 (2-((R)-3-{(S)-8-Methyl-4-oxo-3-(3-trifluoromethyl-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(O)=O)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C38H44BF3N6O7/c1-6-28(39-54-29-24-15-22(35(24,2)3)16-37(29,5)55-39)46-30(49)27-17-36(4,47-34(53)45-25-13-8-7-12-23(25)32(51)52)33-44-19-26(31(50)48(27)33)43-18-20-10-9-11-21(14-20)38(40,41)42/h7-14,19,22,24,27-29,43H,6,15-18H2,1-5H3,(H,46,49)(H,51,52)(H2,45,47,53)/t22?,24?,27-,28-,29?,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124064 ((S)-4-Oxo-3-(3-trifluoromethyl-benzylamino)-4,6,7,...) Show SMILES CC[C@H](NC(=O)[C@@H]1CCc2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C29H36BF3N4O4/c1-5-22(30-40-24-19-12-18(27(19,2)3)13-28(24,4)41-30)36-25(38)21-9-10-23-35-15-20(26(39)37(21)23)34-14-16-7-6-8-17(11-16)29(31,32)33/h6-8,11,15,18-19,21-22,24,34H,5,9-10,12-14H2,1-4H3,(H,36,38)/t18?,19?,21-,22-,24?,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50124060 ((S)-8-((R)-3-Biphenyl-2-yl-ureido)-8-methyl-4-oxo-...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2-c2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C Show InChI InChI=1S/C43H48BF3N6O5/c1-6-34(44-57-35-30-20-28(40(30,2)3)21-42(35,5)58-44)51-36(54)33-22-41(4,52-39(56)50-31-18-11-10-17-29(31)26-14-8-7-9-15-26)38-49-24-32(37(55)53(33)38)48-23-25-13-12-16-27(19-25)43(45,46)47/h7-19,24,28,30,33-35,48H,6,20-23H2,1-5H3,(H,51,54)(H2,50,52,56)/t28?,30?,33-,34-,35?,41+,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity hepatitis C virus NS3 protease.				Bioorg Med Chem Lett 13: 785-8 (2003) BindingDB Entry DOI: 10.7270/Q2JW8D84
					More data for this Ligand-Target Pair