Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50012539   

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)	BDBM50120291 (CHEMBL107869 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(F)(F)F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H64BF3N6O11/c1-22(2)35(52-38(60)28(15-17-33(55)56)50-37(59)27(49)21-34(57)58)40(62)53-36(23(3)4)41(63)54-18-8-9-29(54)39(61)51-32(16-12-24-10-13-25(14-11-24)44(46,47)48)45-64-31-20-26-19-30(42(26,5)6)43(31,7)65-45/h10-11,13-14,22-23,26-32,35-36H,8-9,12,15-21,49H2,1-7H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120311 (CHEMBL320814 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Cl)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BClN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120290 (CHEMBL107287 | Peptide Boronic Acid analogue) Show SMILES COc1ccc(CC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1 Show InChI InChI=1S/C44H67BN6O12/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-9-10-30(51)40(58)48-33(17-13-25-11-14-27(61-8)15-12-25)45-62-32-21-26-20-31(43(26,5)6)44(32,7)63-45/h11-12,14-15,23-24,26,28-33,36-37H,9-10,13,16-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t26-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120295 (CHEMBL324207 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C47H73BN6O11/c1-25(2)38(52-41(60)31(18-20-36(55)56)50-40(59)30(49)24-37(57)58)43(62)53-39(26(3)4)44(63)54-21-11-12-32(54)42(61)51-35(19-15-27-13-16-28(17-14-27)45(5,6)7)48-64-34-23-29-22-33(46(29,8)9)47(34,10)65-48/h13-14,16-17,25-26,29-35,38-39H,11-12,15,18-24,49H2,1-10H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,47-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120293 (CHEMBL413150 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Oc2ccccc2)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H69BN6O12/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(50-67-37-25-30-24-36(48(30,5)6)49(37,7)68-50)21-17-29-15-18-32(19-16-29)66-31-12-9-8-10-13-31/h8-10,12-13,15-16,18-19,27-28,30,33-38,41-42H,11,14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t30-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120285 (CHEMBL108657 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C1CCCCC1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H75BN6O11/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(21-17-29-15-18-31(19-16-29)30-12-9-8-10-13-30)50-66-37-25-32-24-36(48(32,5)6)49(37,7)67-50/h15-16,18-19,27-28,30,32-38,41-42H,8-14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t32-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120304 (CHEMBL108815 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Br)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BBrN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120306 (CHEMBL262398 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C46H71BN6O11/c1-24(2)28-15-12-27(13-16-28)14-18-35(47-63-34-22-29-21-33(45(29,7)8)46(34,9)64-47)50-42(60)32-11-10-20-53(32)44(62)39(26(5)6)52-43(61)38(25(3)4)51-41(59)31(17-19-36(54)55)49-40(58)30(48)23-37(56)57/h12-13,15-16,24-26,29-35,38-39H,10-11,14,17-23,48H2,1-9H3,(H,49,58)(H,50,60)(H,51,59)(H,52,61)(H,54,55)(H,56,57)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,46-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120284 (CHEMBL107656 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(F)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120303 (CHEMBL432959 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)-c1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H69BN6O11/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(21-17-29-15-18-31(19-16-29)30-12-9-8-10-13-30)50-66-37-25-32-24-36(48(32,5)6)49(37,7)67-50/h8-10,12-13,15-16,18-19,27-28,32-38,41-42H,11,14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t32-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120286 (CHEMBL322933 | Peptide Boronic Acid analogue) Show SMILES CC(C)CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C41H69BN6O11/c1-21(2)12-10-14-30(42-58-29-19-24-18-28(40(24,7)8)41(29,9)59-42)45-37(55)27-13-11-17-48(27)39(57)34(23(5)6)47-38(56)33(22(3)4)46-36(54)26(15-16-31(49)50)44-35(53)25(43)20-32(51)52/h21-30,33-34H,10-20,43H2,1-9H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120299 (CHEMBL110828 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(O)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H65BN6O12/c1-22(2)35(48-38(57)28(15-17-33(52)53)46-37(56)27(45)21-34(54)55)40(59)49-36(23(3)4)41(60)50-18-8-9-29(50)39(58)47-32(16-12-24-10-13-26(51)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36,51H,8-9,12,15-21,45H2,1-7H3,(H,46,56)(H,47,58)(H,48,57)(H,49,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120298 (CHEMBL109434 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H65BN6O11/c1-23(2)35(48-38(56)28(16-18-33(51)52)46-37(55)27(45)22-34(53)54)40(58)49-36(24(3)4)41(59)50-19-11-14-29(50)39(57)47-32(17-15-25-12-9-8-10-13-25)44-60-31-21-26-20-30(42(26,5)6)43(31,7)61-44/h8-10,12-13,23-24,26-32,35-36H,11,14-22,45H2,1-7H3,(H,46,55)(H,47,57)(H,48,56)(H,49,58)(H,51,52)(H,53,54)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120296 (CHEMBL419918 | Peptide Boronic Acid analogue) Show SMILES CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C37H61BN6O11/c1-9-26(38-54-25-16-20-15-24(36(20,6)7)37(25,8)55-38)41-33(51)23-11-10-14-44(23)35(53)30(19(4)5)43-34(52)29(18(2)3)42-32(50)22(12-13-27(45)46)40-31(49)21(39)17-28(47)48/h18-26,29-30H,9-17,39H2,1-8H3,(H,40,49)(H,41,51)(H,42,50)(H,43,52)(H,45,46)(H,47,48)/t20-,21-,22-,23+,24-,25+,26-,29-,30-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120308 (CHEMBL443537 | Peptide Boronic Acid analogue) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C39H65BN6O11/c1-19(2)15-28(40-56-27-17-22-16-26(38(22,7)8)39(27,9)57-40)43-35(53)25-11-10-14-46(25)37(55)32(21(5)6)45-36(54)31(20(3)4)44-34(52)24(12-13-29(47)48)42-33(51)23(41)18-30(49)50/h19-28,31-32H,10-18,41H2,1-9H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120302 (CHEMBL108449 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1cccc(F)c1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(14-16-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-17-9-12-29(51)39(58)48-32(15-13-24-10-8-11-26(45)18-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h8,10-11,18,22-23,25,27-32,35-36H,9,12-17,19-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120289 (CHEMBL419567 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C45H69BN6O11/c1-25(2)37(50-40(58)30(19-20-35(53)54)48-39(57)29(47)24-36(55)56)42(60)51-38(26(3)4)43(61)52-21-13-17-31(52)41(59)49-34(18-12-11-16-27-14-9-8-10-15-27)46-62-33-23-28-22-32(44(28,5)6)45(33,7)63-46/h8-10,14-15,25-26,28-34,37-38H,11-13,16-24,47H2,1-7H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32-,33+,34-,37-,38-,45-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120307 (CHEMBL263941 | Peptide Boronic Acid analogue) Show SMILES CCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C39H65BN6O11/c1-9-10-13-28(40-56-27-18-22-17-26(38(22,6)7)39(27,8)57-40)43-35(53)25-12-11-16-46(25)37(55)32(21(4)5)45-36(54)31(20(2)3)44-34(52)24(14-15-29(47)48)42-33(51)23(41)19-30(49)50/h20-28,31-32H,9-19,41H2,1-8H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120288 (CHEMBL432978 | Peptide Boronic Acid analogue) Show SMILES CCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C40H67BN6O11/c1-9-10-11-14-29(41-57-28-19-23-18-27(39(23,6)7)40(28,8)58-41)44-36(54)26-13-12-17-47(26)38(56)33(22(4)5)46-37(55)32(21(2)3)45-35(53)25(15-16-30(48)49)43-34(52)24(42)20-31(50)51/h21-29,32-33H,9-20,42H2,1-8H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120305 (CHEMBL111765 | Peptide Boronic Acid analogue) Show SMILES CCCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C41H69BN6O11/c1-9-10-11-12-15-30(42-58-29-20-24-19-28(40(24,6)7)41(29,8)59-42)45-37(55)27-14-13-18-48(27)39(57)34(23(4)5)47-38(56)33(22(2)3)46-36(54)26(16-17-31(49)50)44-35(53)25(43)21-32(51)52/h22-30,33-34H,9-21,43H2,1-8H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120300 (CHEMBL431246 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(C)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H67BN6O11/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-9-10-30(51)40(58)48-33(17-15-26-13-11-25(5)12-14-26)45-61-32-21-27-20-31(43(27,6)7)44(32,8)62-45/h11-14,23-24,27-33,36-37H,9-10,15-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120283 (CHEMBL322784 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-10-13-29(51)39(58)48-32(16-14-24-11-8-9-12-26(24)45)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h8-9,11-12,22-23,25,27-32,35-36H,10,13-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120301 (CHEMBL322277 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1cccc(c1)C(F)(F)F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H64BF3N6O11/c1-22(2)35(52-38(60)28(14-16-33(55)56)50-37(59)27(49)21-34(57)58)40(62)53-36(23(3)4)41(63)54-17-9-12-29(54)39(61)51-32(15-13-24-10-8-11-25(18-24)44(46,47)48)45-64-31-20-26-19-30(42(26,5)6)43(31,7)65-45/h8,10-11,18,22-23,26-32,35-36H,9,12-17,19-21,49H2,1-7H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120287 (CHEMBL109483 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1cccc(C)c1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H67BN6O11/c1-23(2)36(49-39(57)29(15-17-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-18-10-13-30(51)40(58)48-33(16-14-26-12-9-11-25(5)19-26)45-61-32-21-27-20-31(43(27,6)7)44(32,8)62-45/h9,11-12,19,23-24,27-33,36-37H,10,13-18,20-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120292 (CHEMBL322110 | Peptide Boronic Acid analogue) Show SMILES CC(C)CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C40H67BN6O11/c1-20(2)12-14-29(41-57-28-18-23-17-27(39(23,7)8)40(28,9)58-41)44-36(54)26-11-10-16-47(26)38(56)33(22(5)6)46-37(55)32(21(3)4)45-35(53)25(13-15-30(48)49)43-34(52)24(42)19-31(50)51/h20-29,32-33H,10-19,42H2,1-9H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/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	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120314 (CHEMBL321894 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H67BN6O11/c1-24(2)36(49-39(57)29(18-19-34(52)53)47-38(56)28(46)23-35(54)55)41(59)50-37(25(3)4)42(60)51-20-12-16-30(51)40(58)48-33(17-11-15-26-13-9-8-10-14-26)45-61-32-22-27-21-31(43(27,5)6)44(32,7)62-45/h8-10,13-14,24-25,27-33,36-37H,11-12,15-23,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120309 (CHEMBL108189 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C42H63BN6O11/c1-22(2)34(47-37(55)27(15-16-32(50)51)45-36(54)26(44)21-33(52)53)39(57)48-35(23(3)4)40(58)49-17-11-14-28(49)38(56)46-31(18-24-12-9-8-10-13-24)43-59-30-20-25-19-29(41(25,5)6)42(30,7)60-43/h8-10,12-13,22-23,25-31,34-35H,11,14-21,44H2,1-7H3,(H,45,54)(H,46,56)(H,47,55)(H,48,57)(H,50,51)(H,52,53)/t25-,26-,27-,28+,29-,30+,31-,34-,35-,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120313 (CHEMBL320103 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1)c1ccccc1 Show InChI InChI=1S/C41H61BN6O11/c1-21(2)32(45-36(54)26(15-16-30(49)50)44-35(53)25(43)20-31(51)52)38(56)46-33(22(3)4)39(57)48-17-11-14-27(48)37(55)47-34(23-12-9-8-10-13-23)42-58-29-19-24-18-28(40(24,5)6)41(29,7)59-42/h8-10,12-13,21-22,24-29,32-34H,11,14-20,43H2,1-7H3,(H,44,53)(H,45,54)(H,46,56)(H,47,55)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,32-,33-,34-,41-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120296 (CHEMBL419918 | Peptide Boronic Acid analogue) Show SMILES CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C37H61BN6O11/c1-9-26(38-54-25-16-20-15-24(36(20,6)7)37(25,8)55-38)41-33(51)23-11-10-14-44(23)35(53)30(19(4)5)43-34(52)29(18(2)3)42-32(50)22(12-13-27(45)46)40-31(49)21(39)17-28(47)48/h18-26,29-30H,9-17,39H2,1-8H3,(H,40,49)(H,41,51)(H,42,50)(H,43,52)(H,45,46)(H,47,48)/t20-,21-,22-,23+,24-,25+,26-,29-,30-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120284 (CHEMBL107656 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(F)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120308 (CHEMBL443537 | Peptide Boronic Acid analogue) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C39H65BN6O11/c1-19(2)15-28(40-56-27-17-22-16-26(38(22,7)8)39(27,9)57-40)43-35(53)25-11-10-14-46(25)37(55)32(21(5)6)45-36(54)31(20(3)4)44-34(52)24(12-13-29(47)48)42-33(51)23(41)18-30(49)50/h19-28,31-32H,10-18,41H2,1-9H3,(H,42,51)(H,43,53)(H,44,52)(H,45,54)(H,47,48)(H,49,50)/t22-,23-,24-,25+,26-,27+,28-,31-,32-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120311 (CHEMBL320814 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Cl)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BClN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120309 (CHEMBL108189 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C42H63BN6O11/c1-22(2)34(47-37(55)27(15-16-32(50)51)45-36(54)26(44)21-33(52)53)39(57)48-35(23(3)4)40(58)49-17-11-14-28(49)38(56)46-31(18-24-12-9-8-10-13-24)43-59-30-20-25-19-29(41(25,5)6)42(30,7)60-43/h8-10,12-13,22-23,25-31,34-35H,11,14-21,44H2,1-7H3,(H,45,54)(H,46,56)(H,47,55)(H,48,57)(H,50,51)(H,52,53)/t25-,26-,27-,28+,29-,30+,31-,34-,35-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120298 (CHEMBL109434 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H65BN6O11/c1-23(2)35(48-38(56)28(16-18-33(51)52)46-37(55)27(45)22-34(53)54)40(58)49-36(24(3)4)41(59)50-19-11-14-29(50)39(57)47-32(17-15-25-12-9-8-10-13-25)44-60-31-21-26-20-30(42(26,5)6)43(31,7)61-44/h8-10,12-13,23-24,26-32,35-36H,11,14-22,45H2,1-7H3,(H,46,55)(H,47,57)(H,48,56)(H,49,58)(H,51,52)(H,53,54)/t26-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120293 (CHEMBL413150 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(Oc2ccccc2)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H69BN6O12/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(50-67-37-25-30-24-36(48(30,5)6)49(37,7)68-50)21-17-29-15-18-32(19-16-29)66-31-12-9-8-10-13-31/h8-10,12-13,15-16,18-19,27-28,30,33-38,41-42H,11,14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t30-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120286 (CHEMBL322933 | Peptide Boronic Acid analogue) Show SMILES CC(C)CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C41H69BN6O11/c1-21(2)12-10-14-30(42-58-29-19-24-18-28(40(24,7)8)41(29,9)59-42)45-37(55)27-13-11-17-48(27)39(57)34(23(5)6)47-38(56)33(22(3)4)46-36(54)26(15-16-31(49)50)44-35(53)25(43)20-32(51)52/h21-30,33-34H,10-20,43H2,1-9H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120292 (CHEMBL322110 | Peptide Boronic Acid analogue) Show SMILES CC(C)CC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C40H67BN6O11/c1-20(2)12-14-29(41-57-28-18-23-17-27(39(23,7)8)40(28,9)58-41)44-36(54)26-11-10-16-47(26)38(56)33(22(5)6)46-37(55)32(21(3)4)45-35(53)25(13-15-30(48)49)43-34(52)24(42)19-31(50)51/h20-29,32-33H,10-19,42H2,1-9H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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 concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120295 (CHEMBL324207 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C47H73BN6O11/c1-25(2)38(52-41(60)31(18-20-36(55)56)50-40(59)30(49)24-37(57)58)43(62)53-39(26(3)4)44(63)54-21-11-12-32(54)42(61)51-35(19-15-27-13-16-28(17-14-27)45(5,6)7)48-64-34-23-29-22-33(46(29,8)9)47(34,10)65-48/h13-14,16-17,25-26,29-35,38-39H,11-12,15,18-24,49H2,1-10H3,(H,50,59)(H,51,61)(H,52,60)(H,53,62)(H,55,56)(H,57,58)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,47-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120288 (CHEMBL432978 | Peptide Boronic Acid analogue) Show SMILES CCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C40H67BN6O11/c1-9-10-11-14-29(41-57-28-19-23-18-27(39(23,6)7)40(28,8)58-41)44-36(54)26-13-12-17-47(26)38(56)33(22(4)5)46-37(55)32(21(2)3)45-35(53)25(15-16-30(48)49)43-34(52)24(42)20-31(50)51/h21-29,32-33H,9-20,42H2,1-8H3,(H,43,52)(H,44,54)(H,45,53)(H,46,55)(H,48,49)(H,50,51)/t23-,24-,25-,26+,27-,28+,29-,32-,33-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120285 (CHEMBL108657 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C1CCCCC1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H75BN6O11/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(21-17-29-15-18-31(19-16-29)30-12-9-8-10-13-30)50-66-37-25-32-24-36(48(32,5)6)49(37,7)67-50/h15-16,18-19,27-28,30,32-38,41-42H,8-14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t32-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120289 (CHEMBL419567 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C45H69BN6O11/c1-25(2)37(50-40(58)30(19-20-35(53)54)48-39(57)29(47)24-36(55)56)42(60)51-38(26(3)4)43(61)52-21-13-17-31(52)41(59)49-34(18-12-11-16-27-14-9-8-10-15-27)46-62-33-23-28-22-32(44(28,5)6)45(33,7)63-46/h8-10,14-15,25-26,28-34,37-38H,11-13,16-24,47H2,1-7H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32-,33+,34-,37-,38-,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50120305 (CHEMBL111765 | Peptide Boronic Acid analogue) Show SMILES CCCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C41H69BN6O11/c1-9-10-11-12-15-30(42-58-29-20-24-19-28(40(24,6)7)41(29,8)59-42)45-37(55)27-14-13-18-48(27)39(57)34(23(4)5)47-38(56)33(22(2)3)46-36(54)26(16-17-31(49)50)44-35(53)25(43)21-32(51)52/h22-30,33-34H,9-21,43H2,1-8H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)(H,49,50)(H,51,52)/t24-,25-,26-,27+,28-,29+,30-,33-,34-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human pancreatic Serine protease chymotrypsin				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120306 (CHEMBL262398 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C46H71BN6O11/c1-24(2)28-15-12-27(13-16-28)14-18-35(47-63-34-22-29-21-33(45(29,7)8)46(34,9)64-47)50-42(60)32-11-10-20-53(32)44(62)39(26(5)6)52-43(61)38(25(3)4)51-41(59)31(17-19-36(54)55)49-40(58)30(48)23-37(56)57/h12-13,15-16,24-26,29-35,38-39H,10-11,14,17-23,48H2,1-9H3,(H,49,58)(H,50,60)(H,51,59)(H,52,61)(H,54,55)(H,56,57)/t29-,30-,31-,32+,33-,34+,35-,38-,39-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120294 (CHEMBL326207 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(C)cc1C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C45H69BN6O11/c1-23(2)37(50-40(58)30(15-17-35(53)54)48-39(57)29(47)22-36(55)56)42(60)51-38(24(3)4)43(61)52-18-10-11-31(52)41(59)49-34(16-14-27-13-12-25(5)19-26(27)6)46-62-33-21-28-20-32(44(28,7)8)45(33,9)63-46/h12-13,19,23-24,28-34,37-38H,10-11,14-18,20-22,47H2,1-9H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32-,33+,34-,37-,38-,45-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120290 (CHEMBL107287 | Peptide Boronic Acid analogue) Show SMILES COc1ccc(CC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1 Show InChI InChI=1S/C44H67BN6O12/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-9-10-30(51)40(58)48-33(17-13-25-11-14-27(61-8)15-12-25)45-62-32-21-26-20-31(43(26,5)6)44(32,7)63-45/h11-12,14-15,23-24,26,28-33,36-37H,9-10,13,16-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t26-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120284 (CHEMBL107656 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(F)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120310 (CHEMBL109592 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H67BN6O11/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-11-14-30(51)40(58)48-33(17-15-26-13-10-9-12-25(26)5)45-61-32-21-27-20-31(43(27,6)7)44(32,8)62-45/h9-10,12-13,23-24,27-33,36-37H,11,14-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120303 (CHEMBL432959 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(cc1)-c1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C49H69BN6O11/c1-27(2)41(54-44(62)34(20-22-39(57)58)52-43(61)33(51)26-40(59)60)46(64)55-42(28(3)4)47(65)56-23-11-14-35(56)45(63)53-38(21-17-29-15-18-31(19-16-29)30-12-9-8-10-13-30)50-66-37-25-32-24-36(48(32,5)6)49(37,7)67-50/h8-10,12-13,15-16,18-19,27-28,32-38,41-42H,11,14,17,20-26,51H2,1-7H3,(H,52,61)(H,53,63)(H,54,62)(H,55,64)(H,57,58)(H,59,60)/t32-,33-,34-,35+,36-,37+,38-,41-,42-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120299 (CHEMBL110828 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1ccc(O)cc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H65BN6O12/c1-22(2)35(48-38(57)28(15-17-33(52)53)46-37(56)27(45)21-34(54)55)40(59)49-36(23(3)4)41(60)50-18-8-9-29(50)39(58)47-32(16-12-24-10-13-26(51)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36,51H,8-9,12,15-21,45H2,1-7H3,(H,46,56)(H,47,58)(H,48,57)(H,49,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Human leukocyte Elastase				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50120297 (CHEMBL278908 | Peptide Boronic Acid analogue) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCc1cc(F)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H63BF2N6O11/c1-21(2)35(50-38(58)28(13-15-33(53)54)48-37(57)27(47)20-34(55)56)40(60)51-36(22(3)4)41(61)52-16-8-9-29(52)39(59)49-32(14-10-23-17-25(45)11-12-26(23)46)44-62-31-19-24-18-30(42(24,5)6)43(31,7)63-44/h11-12,17,21-22,24,27-32,35-36H,8-10,13-16,18-20,47H2,1-7H3,(H,48,57)(H,49,59)(H,50,58)(H,51,60)(H,53,54)(H,55,56)/t24-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 3199-202 (2002) BindingDB Entry DOI: 10.7270/Q2R49Q38
					More data for this Ligand-Target Pair

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