Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'freitas-junior' and Initial = 'l'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50502827 (CHEMBL4565840) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O/c1-20(2)17-26(28(36)34-25(19-33)18-21-9-5-3-6-10-21)35-27(29(30,31)32)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,20,25-27,35H,17-18H2,1-2H3,(H,34,36)/t25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502833 (CHEMBL4473385) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C27H28F3N5O/c1-18(2)12-24(26(36)34-23(14-31)13-19-6-4-3-5-7-19)35-25(27(28,29)30)21-10-8-20(9-11-21)22-15-32-17-33-16-22/h3-11,15-18,23-25,35H,12-13H2,1-2H3,(H,34,36)/t23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451631 (CHEMBL4212454) Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(nn1C)C(C)(C)C |r| Show InChI InChI=1S/C21H28N6O2/c1-21(2,3)18-13-17(26(5)24-18)19(28)23-16(12-15-10-8-7-9-11-15)20(29)27(6)25(4)14-22/h7-11,13,16H,12H2,1-6H3,(H,23,28)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451625 (CHEMBL4217414) Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502846 (CHEMBL4451757) Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50304793 ((S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-ox...) Show SMILES CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C20H22N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3,(H,22,26)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502822 (CHEMBL4522247) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c22-16-8-4-7-15(12-16)18(21(23,24)25)27-17(11-14-5-2-1-3-6-14)19(29)28-20(13-26)9-10-20/h1-8,12,17-18,27H,9-11H2,(H,28,29)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502846 (CHEMBL4451757) Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502832 (CHEMBL4579894) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451622 (CHEMBL4218185) Show SMILES O=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H20N2O4/c22-12-11-20-18(23)17(13-15-7-3-1-4-8-15)21-19(24)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)(H,21,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451630 (CHEMBL4212989) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N(C)C#N |r| Show InChI InChI=1S/C14H26N4O3/c1-10(2)8-11(12(19)18(7)17(6)9-15)16-13(20)21-14(3,4)5/h10-11H,8H2,1-7H3,(H,16,20)/t11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502833 (CHEMBL4473385) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C27H28F3N5O/c1-18(2)12-24(26(36)34-23(14-31)13-19-6-4-3-5-7-19)35-25(27(28,29)30)21-10-8-20(9-11-21)22-15-32-17-33-16-22/h3-11,15-18,23-25,35H,12-13H2,1-2H3,(H,34,36)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502836 (CHEMBL4439127) Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r| Show InChI InChI=1S/C22H22F3N3O2/c1-30-17-9-7-15(8-10-17)13-18(20(29)28-21(14-26)11-12-21)27-19(22(23,24)25)16-5-3-2-4-6-16/h2-10,18-19,27H,11-13H2,1H3,(H,28,29)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502851 (CHEMBL4467498) Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C18H18F3NO3/c1-25-14-9-7-12(8-10-14)11-15(17(23)24)22-16(18(19,20)21)13-5-3-2-4-6-13/h2-10,15-16,22H,11H2,1H3,(H,23,24)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502823 (CHEMBL4519995) Show SMILES CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C18H22F3N3O/c1-12(2)10-14(16(25)24-17(11-22)8-9-17)23-15(18(19,20)21)13-6-4-3-5-7-13/h3-7,12,14-15,23H,8-10H2,1-2H3,(H,24,25)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502820 (CHEMBL4578891) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C22H25N3O2/c1-16(2)13-20(25-21(26)18-11-7-4-8-12-18)22(27)24-19(15-23)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-14H2,1-2H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502831 (CHEMBL4546133) Show SMILES CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502820 (CHEMBL4578891) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C22H25N3O2/c1-16(2)13-20(25-21(26)18-11-7-4-8-12-18)22(27)24-19(15-23)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-14H2,1-2H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502849 (CHEMBL4543467) Show SMILES CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F4N3O/c1-15(2)13-20(22(32)31-23(14-29)11-12-23)30-21(24(26,27)28)18-5-3-16(4-6-18)17-7-9-19(25)10-8-17/h3-10,15,20-21,30H,11-13H2,1-2H3,(H,31,32)/t20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50451627 (CHEMBL4213786) Show SMILES ON=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C19H21N3O4/c23-18(20-11-12-21-25)17(13-15-7-3-1-4-8-15)22-19(24)26-14-16-9-5-2-6-10-16/h1-10,12,17,25H,11,13-14H2,(H,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50255753 (CHEMBL481611 | MK-0822 | Odanacatib) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502841 (CHEMBL4447597) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](c1cccc(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C19H16ClF3N2O2/c20-13-5-3-4-11(8-13)17(19(21,22)23)25-16(18(26)27)9-12-10-24-15-7-2-1-6-14(12)15/h1-8,10,16-17,24-25H,9H2,(H,26,27)/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502824 (CHEMBL4471896) Show SMILES CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C18H22F3N3O/c1-12(2)10-14(16(25)24-17(11-22)8-9-17)23-15(18(19,20)21)13-6-4-3-5-7-13/h3-7,12,14-15,23H,8-10H2,1-2H3,(H,24,25)/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502840 (CHEMBL4439367) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](c1cccc(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C19H16ClF3N2O2/c20-13-5-3-4-11(8-13)17(19(21,22)23)25-16(18(26)27)9-12-10-24-15-7-2-1-6-14(12)15/h1-8,10,16-17,24-25H,9H2,(H,26,27)/t16-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502824 (CHEMBL4471896) Show SMILES CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C18H22F3N3O/c1-12(2)10-14(16(25)24-17(11-22)8-9-17)23-15(18(19,20)21)13-6-4-3-5-7-13/h3-7,12,14-15,23H,8-10H2,1-2H3,(H,24,25)/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502825 (CHEMBL4446278) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C21H19BrF3N3O/c22-16-8-6-15(7-9-16)18(21(23,24)25)27-17(12-14-4-2-1-3-5-14)19(29)28-20(13-26)10-11-20/h1-9,17-18,27H,10-12H2,(H,28,29)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502837 (CHEMBL4455305) Show SMILES CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502826 (CHEMBL4591985) Show SMILES CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O/c1-20(2)17-26(28(36)34-25(19-33)18-21-9-5-3-6-10-21)35-27(29(30,31)32)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,20,25-27,35H,17-18H2,1-2H3,(H,34,36)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502839 (CHEMBL4440845) Show SMILES COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C18H18F3NO3/c1-25-14-9-7-12(8-10-14)11-15(17(23)24)22-16(18(19,20)21)13-5-3-2-4-6-13/h2-10,15-16,22H,11H2,1H3,(H,23,24)/t15-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502842 (CHEMBL4440148) Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r| Show InChI InChI=1S/C27H26F3N3O2/c1-35-23-14-12-20(13-15-23)17-24(33-25(27(28,29)30)21-10-6-3-7-11-21)26(34)32-22(18-31)16-19-8-4-2-5-9-19/h2-15,22,24-25,33H,16-17H2,1H3,(H,32,34)/t22-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502837 (CHEMBL4455305) Show SMILES CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C23H26F3N3O/c1-16(2)13-20(29-21(23(24,25)26)18-11-7-4-8-12-18)22(30)28-19(15-27)14-17-9-5-3-6-10-17/h3-12,16,19-21,29H,13-14H2,1-2H3,(H,28,30)/t19-,20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502819 (CHEMBL4582238) Show SMILES COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r| Show InChI InChI=1S/C22H22F3N3O2/c1-30-17-9-7-15(8-10-17)13-18(20(29)28-21(14-26)11-12-21)27-19(22(23,24)25)16-5-3-2-4-6-16/h2-10,18-19,27H,11-13H2,1H3,(H,28,29)/t18-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM20096 (CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502831 (CHEMBL4546133) Show SMILES CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502842 (CHEMBL4440148) Show SMILES COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r| Show InChI InChI=1S/C27H26F3N3O2/c1-35-23-14-12-20(13-15-23)17-24(33-25(27(28,29)30)21-10-6-3-7-11-21)26(34)32-22(18-31)16-19-8-4-2-5-9-19/h2-15,22,24-25,33H,16-17H2,1H3,(H,32,34)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502829 (CHEMBL4586752) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C26H24F3N3O/c27-26(28,29)24(21-14-8-3-9-15-21)32-23(17-20-12-6-2-7-13-20)25(33)31-22(18-30)16-19-10-4-1-5-11-19/h1-15,22-24,32H,16-17H2,(H,31,33)/t22-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502850 (CHEMBL4514540) Show SMILES FC(F)(F)[C@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O/c22-16-8-4-7-15(12-16)18(21(23,24)25)27-17(11-14-5-2-1-3-6-14)19(29)28-20(13-26)9-10-20/h1-8,12,17-18,27H,9-11H2,(H,28,29)/t17-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502832 (CHEMBL4579894) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F3N3O/c1-16(2)14-20(22(31)30-23(15-28)12-13-23)29-21(24(25,26)27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20-21,29H,12-14H2,1-2H3,(H,30,31)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502849 (CHEMBL4543467) Show SMILES CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F4N3O/c1-15(2)13-20(22(32)31-23(14-29)11-12-23)30-21(24(26,27)28)18-5-3-16(4-6-18)17-7-9-19(25)10-8-17/h3-10,15,20-21,30H,11-13H2,1-2H3,(H,31,32)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502844 (CHEMBL4515535) Show SMILES FC(F)(F)[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20(15-6-2-1-3-7-15)29-19(21(31)30-22(14-27)10-11-22)12-16-13-28-18-9-5-4-8-17(16)18/h1-9,13,19-20,28-29H,10-12H2,(H,30,31)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502847 (CHEMBL4544254) Show SMILES FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H20F3N3O/c22-21(23,24)18(16-9-5-2-6-10-16)26-17(13-15-7-3-1-4-8-15)19(28)27-20(14-25)11-12-20/h1-10,17-18,26H,11-13H2,(H,27,28)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502830 (CHEMBL4535973) Show SMILES FC(F)(F)[C@@H](N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20(15-6-2-1-3-7-15)29-19(21(31)30-22(14-27)10-11-22)12-16-13-28-18-9-5-4-8-17(16)18/h1-9,13,19-20,28-29H,10-12H2,(H,30,31)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50255753 (CHEMBL481611 | MK-0822 | Odanacatib) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502827 (CHEMBL4565840) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O/c1-20(2)17-26(28(36)34-25(19-33)18-21-9-5-3-6-10-21)35-27(29(30,31)32)24-15-13-23(14-16-24)22-11-7-4-8-12-22/h3-16,20,25-27,35H,17-18H2,1-2H3,(H,34,36)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502845 (CHEMBL4456233) Show SMILES COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C#N)cc1 |r| Show InChI InChI=1S/C27H26F3N3O2/c1-35-23-14-12-20(13-15-23)17-24(33-25(27(28,29)30)21-10-6-3-7-11-21)26(34)32-22(18-31)16-19-8-4-2-5-9-19/h2-15,22,24-25,33H,16-17H2,1H3,(H,32,34)/t22-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair

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