Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50013021   

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)	BDBM50125472 (4-[2-carboxy-1-methylcarboxamido-(1S)-ethylcarboxa...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1 Show InChI InChI=1S/C40H63BN6O12/c1-10-12-29(41-58-28-18-23-17-27(39(23,7)8)40(28,9)59-41)44-36(55)26-13-11-16-47(26)38(57)33(21(4)5)46-37(56)32(20(2)3)45-34(53)24(14-15-30(49)50)43-35(54)25(19-31(51)52)42-22(6)48/h10,20-21,23-29,32-33H,1,11-19H2,2-9H3,(H,42,48)(H,43,54)(H,44,55)(H,45,53)(H,46,56)(H,49,50)(H,51,52)/t23?,24-,25-,26-,27?,28?,29-,32-,33-,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against HCV NS3 protease was determined				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125474 ((6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-4-ox...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C43H47BClF3N4O4/c1-5-11-35(44-55-34-23-30-22-33(41(30,2)3)42(34,4)56-44)50-39(53)32-21-28(17-10-16-27-15-9-14-26-13-6-7-19-31(26)27)36-37(45)51-38(40(54)52(32)36)49-24-25-12-8-18-29(20-25)43(46,47)48/h5-9,12-15,18-20,28,30,32-35H,1,10-11,16-17,21-24H2,2-4H3,(H,49,51)(H,50,53)/t28-,30?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125491 ((6S,8R)-8-Biphenyl-4-ylmethyl-1-chloro-4-oxo-3-(3-...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C43H45BClF3N4O4/c1-5-10-35(44-55-34-23-31-22-33(41(31,2)3)42(34,4)56-44)50-39(53)32-21-29(19-25-15-17-28(18-16-25)27-12-7-6-8-13-27)36-37(45)51-38(40(54)52(32)36)49-24-26-11-9-14-30(20-26)43(46,47)48/h5-9,11-18,20,29,31-35H,1,10,19,21-24H2,2-4H3,(H,49,51)(H,50,53)/t29-,31?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125481 ((6S,8R)-1-Chloro-8-(3-naphthalen-2-yl-propyl)-4-ox...) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@H](CCCc2ccc3ccccc3c2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2CC3CC(C3(C)C)[C@@]2(C)O1 Show InChI InChI=1S/C42H47BClF3N4O4/c1-5-34(43-54-33-22-30-21-32(40(30,2)3)41(33,4)55-43)49-38(52)31-20-28(14-8-10-24-16-17-26-12-6-7-13-27(26)18-24)35-36(44)50-37(39(53)51(31)35)48-23-25-11-9-15-29(19-25)42(45,46)47/h6-7,9,11-13,15-19,28,30-34H,5,8,10,14,20-23H2,1-4H3,(H,48,50)(H,49,52)/t28-,30?,31+,32?,33?,34+,41-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125478 ((6S,8R)-1-Chloro-8-(3-naphthalen-2-yl-propyl)-4-ox...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2ccc3ccccc3c2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C43H47BClF3N4O4/c1-5-10-35(44-55-34-23-31-22-33(41(31,2)3)42(34,4)56-44)50-39(53)32-21-29(15-8-11-25-17-18-27-13-6-7-14-28(27)19-25)36-37(45)51-38(40(54)52(32)36)49-24-26-12-9-16-30(20-26)43(46,47)48/h5-7,9,12-14,16-20,29,31-35H,1,8,10-11,15,21-24H2,2-4H3,(H,49,51)(H,50,53)/t29-,31?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125486 ((6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-3-(3...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3cccc(c3)[N+]([O-])=O)c(=O)n12 Show InChI InChI=1S/C42H47BClN5O6/c1-5-11-35(43-54-34-23-29-22-33(41(29,2)3)42(34,4)55-43)46-39(50)32-21-28(17-10-16-27-15-9-14-26-13-6-7-19-31(26)27)36-37(44)47-38(40(51)48(32)36)45-24-25-12-8-18-30(20-25)49(52)53/h5-9,12-15,18-20,28-29,32-35H,1,10-11,16-17,21-24H2,2-4H3,(H,45,47)(H,46,50)/t28-,29?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125489 ((6S,8R)-1-Chloro-8-(4-methoxy-benzyl)-4-oxo-3-(3-t...) Show SMILES COc1ccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)cc1 Show InChI InChI=1S/C38H43BClF3N4O5/c1-6-8-30(39-51-29-19-25-18-28(36(25,2)3)37(29,4)52-39)45-34(48)27-17-23(15-21-11-13-26(50-5)14-12-21)31-32(40)46-33(35(49)47(27)31)44-20-22-9-7-10-24(16-22)38(41,42)43/h6-7,9-14,16,23,25,27-30H,1,8,15,17-20H2,2-5H3,(H,44,46)(H,45,48)/t23-,25?,27+,28?,29?,30+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125483 ((6S,8R)-1-Chloro-4-oxo-8-(3-phenyl-propyl)-3-(3-tr...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C39H45BClF3N4O4/c1-5-11-31(40-51-30-21-27-20-29(37(27,2)3)38(30,4)52-40)46-35(49)28-19-25(16-9-14-23-12-7-6-8-13-23)32-33(41)47-34(36(50)48(28)32)45-22-24-15-10-17-26(18-24)39(42,43)44/h5-8,10,12-13,15,17-18,25,27-31H,1,9,11,14,16,19-22H2,2-4H3,(H,45,47)(H,46,49)/t25-,27?,28+,29?,30?,31+,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125485 ((6S,8R)-1-Chloro-3-(3-methoxy-benzylamino)-8-(3-na...) Show SMILES COc1cccc(CNc2nc(Cl)c3[C@H](CCCc4cccc5ccccc45)C[C@@H](C(=O)N[C@@H](CC=C)B4OC5CC6CC(C6(C)C)[C@@]5(C)O4)n3c2=O)c1 Show InChI InChI=1S/C43H50BClN4O5/c1-6-12-36(44-53-35-24-30-23-34(42(30,2)3)43(35,4)54-44)47-40(50)33-22-29(18-11-17-28-16-10-15-27-14-7-8-20-32(27)28)37-38(45)48-39(41(51)49(33)37)46-25-26-13-9-19-31(21-26)52-5/h6-10,13-16,19-21,29-30,33-36H,1,11-12,17-18,22-25H2,2-5H3,(H,46,48)(H,47,50)/t29-,30?,33+,34?,35?,36+,43-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125475 ((6S,8R)-1-Chloro-3-(3-fluoro-benzylamino)-8-(3-nap...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3cccc(F)c3)c(=O)n12 Show InChI InChI=1S/C42H47BClFN4O4/c1-5-11-35(43-52-34-23-29-22-33(41(29,2)3)42(34,4)53-43)47-39(50)32-21-28(17-10-16-27-15-9-14-26-13-6-7-19-31(26)27)36-37(44)48-38(40(51)49(32)36)46-24-25-12-8-18-30(45)20-25/h5-9,12-15,18-20,28-29,32-35H,1,10-11,16-17,21-24H2,2-4H3,(H,46,48)(H,47,50)/t28-,29?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125476 ((6S,8R)-1-Chloro-8-(4-methyl-benzyl)-4-oxo-3-(3-tr...) Show SMILES Cc1ccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)cc1 Show InChI InChI=1S/C38H43BClF3N4O4/c1-6-8-30(39-50-29-19-26-18-28(36(26,3)4)37(29,5)51-39)45-34(48)27-17-24(15-22-13-11-21(2)12-14-22)31-32(40)46-33(35(49)47(27)31)44-20-23-9-7-10-25(16-23)38(41,42)43/h6-7,9-14,16,24,26-30H,1,8,15,17-20H2,2-5H3,(H,44,46)(H,45,48)/t24-,26?,27+,28?,29?,30+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125490 ((6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-4-ox...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3ccccn3)c(=O)n12 Show InChI InChI=1S/C41H47BClN5O4/c1-5-12-34(42-51-33-23-28-22-32(40(28,2)3)41(33,4)52-42)46-38(49)31-21-27(17-11-16-26-15-10-14-25-13-6-7-19-30(25)26)35-36(43)47-37(39(50)48(31)35)45-24-29-18-8-9-20-44-29/h5-10,13-15,18-20,27-28,31-34H,1,11-12,16-17,21-24H2,2-4H3,(H,45,47)(H,46,49)/t27-,28?,31+,32?,33?,34+,41-/m1/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 Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125487 ((6S,8R)-1-Chloro-3-(3,4-dihydroxy-benzylamino)-8-(...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3ccc(O)c(O)c3)c(=O)n12 Show InChI InChI=1S/C42H48BClN4O6/c1-5-10-35(43-53-34-22-28-21-33(41(28,2)3)42(34,4)54-43)46-39(51)30-20-27(15-9-14-26-13-8-12-25-11-6-7-16-29(25)26)36-37(44)47-38(40(52)48(30)36)45-23-24-17-18-31(49)32(50)19-24/h5-8,11-13,16-19,27-28,30,33-35,49-50H,1,9-10,14-15,20-23H2,2-4H3,(H,45,47)(H,46,51)/t27-,28?,30+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125470 ((6S,8R)-3-Butylamino-1-chloro-8-(3-naphthalen-1-yl...) Show SMILES CCCCNc1nc(Cl)c2[C@H](CCCc3cccc4ccccc34)C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n2c1=O Show InChI InChI=1S/C39H50BClN4O4/c1-6-8-20-42-35-37(47)45-29(21-26(33(45)34(41)44-35)18-12-17-25-16-11-15-24-14-9-10-19-28(24)25)36(46)43-32(13-7-2)40-48-31-23-27-22-30(38(27,3)4)39(31,5)49-40/h7,9-11,14-16,19,26-27,29-32H,2,6,8,12-13,17-18,20-23H2,1,3-5H3,(H,42,44)(H,43,46)/t26-,27?,29+,30?,31?,32+,39-/m1/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 Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125480 ((6S,8R)-1-Chloro-3-isobutylamino-8-(3-naphthalen-1...) Show SMILES CC(C)CNc1nc(Cl)c2[C@H](CCCc3cccc4ccccc34)C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n2c1=O Show InChI InChI=1S/C39H50BClN4O4/c1-7-12-32(40-48-31-21-27-20-30(38(27,4)5)39(31,6)49-40)43-36(46)29-19-26(17-11-16-25-15-10-14-24-13-8-9-18-28(24)25)33-34(41)44-35(37(47)45(29)33)42-22-23(2)3/h7-10,13-15,18,23,26-27,29-32H,1,11-12,16-17,19-22H2,2-6H3,(H,42,44)(H,43,46)/t26-,27?,29+,30?,31?,32+,39-/m1/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 Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125488 ((6S,8R)-1-Chloro-8-(3-naphthalen-1-yl-propyl)-4-ox...) Show SMILES CCCNc1nc(Cl)c2[C@H](CCCc3cccc4ccccc34)C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n2c1=O Show InChI InChI=1S/C38H48BClN4O4/c1-6-12-31(39-47-30-22-26-21-29(37(26,3)4)38(30,5)48-39)42-35(45)28-20-25(32-33(40)43-34(41-19-7-2)36(46)44(28)32)17-11-16-24-15-10-14-23-13-8-9-18-27(23)24/h6,8-10,13-15,18,25-26,28-31H,1,7,11-12,16-17,19-22H2,2-5H3,(H,41,43)(H,42,45)/t25-,26?,28+,29?,30?,31+,38-/m1/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 Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125473 ((6S,8R)-3-Amino-1-chloro-8-(3-naphthalen-1-yl-prop...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(N)c(=O)n12 Show InChI InChI=1S/C35H42BClN4O4/c1-5-10-28(36-44-27-19-23-18-26(34(23,2)3)35(27,4)45-36)39-32(42)25-17-22(29-30(37)40-31(38)33(43)41(25)29)15-9-14-21-13-8-12-20-11-6-7-16-24(20)21/h5-8,11-13,16,22-23,25-28H,1,9-10,14-15,17-19H2,2-4H3,(H2,38,40)(H,39,42)/t22-,23?,25+,26?,27?,28+,35-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125493 ((6S,8R)-1-Chloro-3-(cyclohexylmethyl-amino)-8-(3-n...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCC3CCCCC3)c(=O)n12 Show InChI InChI=1S/C42H54BClN4O4/c1-5-13-35(43-51-34-24-30-23-33(41(30,2)3)42(34,4)52-43)46-39(49)32-22-29(20-12-19-28-18-11-17-27-16-9-10-21-31(27)28)36-37(44)47-38(40(50)48(32)36)45-25-26-14-7-6-8-15-26/h5,9-11,16-18,21,26,29-30,32-35H,1,6-8,12-15,19-20,22-25H2,2-4H3,(H,45,47)(H,46,49)/t29-,30?,32+,33?,34?,35+,42-/m1/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 Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125467 ((6S,8R)-1-Chloro-3-ethylamino-8-(3-naphthalen-1-yl...) Show SMILES CCNc1nc(Cl)c2[C@H](CCCc3cccc4ccccc34)C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n2c1=O Show InChI InChI=1S/C37H46BClN4O4/c1-6-12-30(38-46-29-21-25-20-28(36(25,3)4)37(29,5)47-38)41-34(44)27-19-24(31-32(39)42-33(40-7-2)35(45)43(27)31)17-11-16-23-15-10-14-22-13-8-9-18-26(22)23/h6,8-10,13-15,18,24-25,27-30H,1,7,11-12,16-17,19-21H2,2-5H3,(H,40,42)(H,41,44)/t24-,25?,27+,28?,29?,30+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125469 ((6S,8R)-3-Benzylamino-1-chloro-8-(3-naphthalen-1-y...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2cccc3ccccc23)c2c(Cl)nc(NCc3ccccc3)c(=O)n12 Show InChI InChI=1S/C42H48BClN4O4/c1-5-13-35(43-51-34-24-30-23-33(41(30,2)3)42(34,4)52-43)46-39(49)32-22-29(20-12-19-28-18-11-17-27-16-9-10-21-31(27)28)36-37(44)47-38(40(50)48(32)36)45-25-26-14-7-6-8-15-26/h5-11,14-18,21,29-30,32-35H,1,12-13,19-20,22-25H2,2-4H3,(H,45,47)(H,46,49)/t29-,30?,32+,33?,34?,35+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125477 ((6S,8R)-8-Benzyl-1-chloro-4-oxo-3-(3-trifluorometh...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](Cc2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C37H41BClF3N4O4/c1-5-10-29(38-49-28-19-25-18-27(35(25,2)3)36(28,4)50-38)44-33(47)26-17-23(15-21-11-7-6-8-12-21)30-31(39)45-32(34(48)46(26)30)43-20-22-13-9-14-24(16-22)37(40,41)42/h5-9,11-14,16,23,25-29H,1,10,15,17-20H2,2-4H3,(H,43,45)(H,44,47)/t23-,25?,26+,27?,28?,29+,36-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125492 ((6S,8R)-1-Chloro-8-(3-methoxy-benzyl)-4-oxo-3-(3-t...) Show SMILES COc1cccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)c1 Show InChI InChI=1S/C38H43BClF3N4O5/c1-6-9-30(39-51-29-19-25-18-28(36(25,2)3)37(29,4)52-39)45-34(48)27-17-23(14-21-10-8-13-26(16-21)50-5)31-32(40)46-33(35(49)47(27)31)44-20-22-11-7-12-24(15-22)38(41,42)43/h6-8,10-13,15-16,23,25,27-30H,1,9,14,17-20H2,2-5H3,(H,44,46)(H,45,48)/t23-,25?,27+,28?,29?,30+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125482 ((6S,8R)-1-Chloro-3-methylamino-8-(3-naphthalen-1-y...) Show SMILES CNc1nc(Cl)c2[C@H](CCCc3cccc4ccccc34)C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n2c1=O Show InChI InChI=1S/C36H44BClN4O4/c1-6-11-29(37-45-28-20-24-19-27(35(24,2)3)36(28,4)46-37)40-33(43)26-18-23(30-31(38)41-32(39-5)34(44)42(26)30)16-10-15-22-14-9-13-21-12-7-8-17-25(21)22/h6-9,12-14,17,23-24,26-29H,1,10-11,15-16,18-20H2,2-5H3,(H,39,41)(H,40,43)/t23-,24?,26+,27?,28?,29+,36-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125484 ((6S,8R)-1-Chloro-8-(3-methyl-benzyl)-4-oxo-3-(3-tr...) Show SMILES Cc1cccc(C[C@@H]2C[C@@H](C(=O)N[C@@H](CC=C)B3OC4CC5CC(C5(C)C)[C@@]4(C)O3)n3c2c(Cl)nc(NCc2cccc(c2)C(F)(F)F)c3=O)c1 Show InChI InChI=1S/C38H43BClF3N4O4/c1-6-9-30(39-50-29-19-26-18-28(36(26,3)4)37(29,5)51-39)45-34(48)27-17-24(15-22-11-7-10-21(2)14-22)31-32(40)46-33(35(49)47(27)31)44-20-23-12-8-13-25(16-23)38(41,42)43/h6-8,10-14,16,24,26-30H,1,9,15,17-20H2,2-5H3,(H,44,46)(H,45,48)/t24-,26?,27+,28?,29?,30+,37-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125468 ((6S,8S)-1-Chloro-8-(3-naphthalen-2-yl-propyl)-4-ox...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@H](CCCc2ccc3ccccc3c2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C43H47BClF3N4O4/c1-5-10-35(44-55-34-23-31-22-33(41(31,2)3)42(34,4)56-44)50-39(53)32-21-29(15-8-11-25-17-18-27-13-6-7-14-28(27)19-25)36-37(45)51-38(40(54)52(32)36)49-24-26-12-9-16-30(20-26)43(46,47)48/h5-7,9,12-14,16-20,29,31-35H,1,8,10-11,15,21-24H2,2-4H3,(H,49,51)(H,50,53)/t29-,31?,32-,33?,34?,35-,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125479 ((6S,8S)-1-Chloro-4-oxo-8-(3-phenyl-propyl)-3-(3-tr...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@H](CCCc2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C39H45BClF3N4O4/c1-5-11-31(40-51-30-21-27-20-29(37(27,2)3)38(30,4)52-40)46-35(49)28-19-25(16-9-14-23-12-7-6-8-13-23)32-33(41)47-34(36(50)48(28)32)45-22-24-15-10-17-26(18-24)39(42,43)44/h5-8,10,12-13,15,17-18,25,27-31H,1,9,11,14,16,19-22H2,2-4H3,(H,45,47)(H,46,49)/t25-,27?,28-,29?,30?,31-,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50125471 ((S)-1-Chloro-4-oxo-3-(3-trifluoromethyl-benzylamin...) Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1CCc2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12 Show InChI InChI=1S/C30H35BClF3N4O4/c1-5-7-23(31-42-22-14-18-13-21(28(18,2)3)29(22,4)43-31)37-26(40)20-11-10-19-24(32)38-25(27(41)39(19)20)36-15-16-8-6-9-17(12-16)30(33,34)35/h5-6,8-9,12,18,20-23H,1,7,10-11,13-15H2,2-4H3,(H,36,38)(H,37,40)/t18?,20-,21?,22?,23-,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory concentration against HCV NS3 protease.				Bioorg Med Chem Lett 13: 1157-60 (2003) BindingDB Entry DOI: 10.7270/Q20R9NSS
					More data for this Ligand-Target Pair