Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'filho' and Initial = 'gb'   

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)	BDBM50117291 (CHEMBL3613587) Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114653 ((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi Cruzain using Z-FR-AMC as substrate by fluorescence assay				Bioorg Med Chem 23: 7478-86 (2015) Article DOI: 10.1016/j.bmc.2015.10.048 BindingDB Entry DOI: 10.7270/Q2KH0Q4J
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117285 (CHEMBL3613583) Show SMILES NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrClFN3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-13(18)12(17)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117281 (CHEMBL3613582) Show SMILES NC(=S)N\N=C(/COc1ccc(F)cc1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrFN3OS/c16-11-3-1-10(2-4-11)14(19-20-15(18)22)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H3,18,20,22)/b19-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330928 (2-[(Phenylthio)propylide-1-enehydrazinyl]-5-methyl...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117278 (CHEMBL3613569) Show SMILES NC(=S)N\N=C(\COc1ccc(Br)cc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H18BrN3OS/c22-18-10-12-19(13-11-18)26-14-20(24-25-21(23)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,25,27)/b24-20-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50282986 (CHEMBL3786939) Show SMILES C\C(=N/Nc1nc(C)cs1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H11Cl2N3S/c1-7-6-18-12(15-7)17-16-8(2)9-3-4-10(13)11(14)5-9/h3-6H,1-2H3,(H,15,17)/b16-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco - UFPE Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...				Eur J Med Chem 141: 346-361 (2017) Article DOI: 10.1016/j.ejmech.2017.09.047 BindingDB Entry DOI: 10.7270/Q2F1927C
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50516805 (CHEMBL3785388) Show SMILES Cc1ccc(C)c(SC\C=N\NC(N)=S)c1 Show InChI InChI=1S/C11H15N3S2/c1-8-3-4-9(2)10(7-8)16-6-5-13-14-11(12)15/h3-5,7H,6H2,1-2H3,(H3,12,14,15)/b13-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...				Eur J Med Chem 180: 191-203 (2019) Article DOI: 10.1016/j.ejmech.2019.07.018 BindingDB Entry DOI: 10.7270/Q2M90D1Q
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400195 (CHEMBL2180344) Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400197 (CHEMBL2180347) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(OC)cc1 |w:6.5,4.17| Show InChI InChI=1S/C21H23N3O3S/c1-4-19-20(25)24(16-10-12-17(26-3)13-11-16)21(28-19)23-22-15(2)14-27-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50282987 (CHEMBL4165151) Show SMILES C\C(=N/Nc1nc(C)c(C)s1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H13Cl2N3S/c1-7-9(3)19-13(16-7)18-17-8(2)10-4-5-11(14)12(15)6-10/h4-6H,1-3H3,(H,16,18)/b17-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco - UFPE Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...				Eur J Med Chem 141: 346-361 (2017) Article DOI: 10.1016/j.ejmech.2017.09.047 BindingDB Entry DOI: 10.7270/Q2F1927C
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400186 (CHEMBL2180341) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17| Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400196 (CHEMBL2180340) Show SMILES CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:5.4,3.16| Show InChI InChI=1S/C19H19N3O2S/c1-14(13-24-17-11-7-4-8-12-17)20-21-19-22(18(23)15(2)25-19)16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400195 (CHEMBL2180344) Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400194 (CHEMBL2180346) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(C)cc1 |w:6.5,4.17| Show InChI InChI=1S/C21H23N3O2S/c1-4-19-20(25)24(17-12-10-15(2)11-13-17)21(27-19)23-22-16(3)14-26-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400193 (CHEMBL2180345) Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6| Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400193 (CHEMBL2180345) Show SMILES CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6| Show InChI InChI=1S/C14H17N3OS2/c1-3-12-13(19)15-14(20-12)17-16-10(2)9-18-11-7-5-4-6-8-11/h4-8,10,19H,3,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400192 (CHEMBL2180665) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)c(s1)C(C)C |w:10.10| Show InChI InChI=1S/C15H19N3O2S/c1-10(2)13-14(19)16-15(21-13)18-17-11(3)9-20-12-7-5-4-6-8-12/h4-8,10-11,19H,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50516806 (CHEMBL3787052) Show SMILES NC(=S)N\N=C\CSc1cccc(Cl)c1 Show InChI InChI=1S/C9H10ClN3S2/c10-7-2-1-3-8(6-7)15-5-4-12-13-9(11)14/h1-4,6H,5H2,(H3,11,13,14)/b12-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...				Eur J Med Chem 180: 191-203 (2019) Article DOI: 10.1016/j.ejmech.2019.07.018 BindingDB Entry DOI: 10.7270/Q2M90D1Q
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400191 (CHEMBL2180349) Show SMILES CC(COc1ccccc1)N=Nc1nc(cs1)-c1ccccc1 |w:10.10| Show InChI InChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate at 20 uM preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330927 (2-[(p-Methylphenylthio)ethylidenehydrazinyl]-5-met...) Show SMILES Cc1sc(N=NCCSc2ccc(C)cc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-9-3-5-11(6-4-9)18-8-7-14-16-13-15-12(17)10(2)19-13/h3-6,17H,7-8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400189 (CHEMBL2180669) Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5| Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400190 (CHEMBL2180354) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10| Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400189 (CHEMBL2180669) Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5| Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400187 (CHEMBL2180339) Show SMILES CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C18H17N3O2S/c1-14(12-23-16-10-6-3-7-11-16)19-20-18-21(17(22)13-24-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400189 (CHEMBL2180669) Show SMILES CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5| Show InChI InChI=1S/C15H19N3O2S/c1-4-13-14(19)18(3)15(21-13)17-16-11(2)10-20-12-8-6-5-7-9-12/h5-9,19H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400190 (CHEMBL2180354) Show SMILES CC(COc1ccccc1)N=Nc1nc(O)cs1 |w:10.10| Show InChI InChI=1S/C12H13N3O2S/c1-9(7-17-10-5-3-2-4-6-10)14-15-12-13-11(16)8-18-12/h2-6,8-9,16H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50400186 (CHEMBL2180341) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17| Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50400186 (CHEMBL2180341) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17| Show InChI InChI=1S/C20H21N3O2S/c1-3-18-19(24)23(16-10-6-4-7-11-16)20(26-18)22-21-15(2)14-25-17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair