Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'cardoso' and Initial = 'mv'   

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)	BDBM50058809 (CHEMBL3329524) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccccn1 Show InChI InChI=1S/C20H16N4S/c1-14(18-8-4-5-11-21-18)23-24-20-22-19(13-25-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,22,24)/b23-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114613 ((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...) Show SMILES CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114613 ((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...) Show SMILES CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058806 (CHEMBL3329519) Show SMILES COc1ccc(cc1)-c1csc(N\N=C(/C)c2ccccn2)n1 Show InChI InChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					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)	BDBM50330929 (2-[(p-Methylphenyl)thiopropylidenehydrazinyl]-5-me...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1S |w:4.3| Show InChI InChI=1S/C13H15N3S3/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	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					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)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330926 (2-[(p-Chlorophenylthio)propylide-1-enehydrazinyl]-...) Show SMILES Cc1sc(N=NCCCSc2ccc(Cl)cc2)nc1O |w:4.3| Show InChI InChI=1S/C13H14ClN3OS2/c1-9-12(18)16-13(20-9)17-15-7-2-8-19-11-5-3-10(14)4-6-11/h3-6,18H,2,7-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058805 (CHEMBL3329518) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1 Show InChI InChI=1S/C16H13FN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					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
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					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)	BDBM50058804 (CHEMBL3329515) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1ccccn1 Show InChI InChI=1S/C17H16N4S/c1-12-6-8-14(9-7-12)16-11-22-17(19-16)21-20-13(2)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,21)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058808 (CHEMBL3329521) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)11-5-6-12(17)13(18)8-11/h2-9H,1H3,(H,20,22)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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 recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558296 (CHEMBL4744510) Show SMILES CC\C(=N/Nc1nc(c(C)s1)-c1ccccc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					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)	BDBM50058803 (CHEMBL2409542) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058802 (CHEMBL3329513) Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(N\N=C\c2ccccn2)n1 Show InChI InChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-10H,(H,18,19)/b17-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					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)	BDBM50558297 (CHEMBL3787543) Show SMILES CC\C(=N/Nc1nc(c(C)s1)-c1ccc(Br)cc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058807 (CHEMBL3329520) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1ccccn1 Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					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)	BDBM50058801 (CHEMBL3329506) Show SMILES Brc1ccc(cc1)-c1csc(N\N=C\c2ccccn2)n1 Show InChI InChI=1S/C15H11BrN4S/c16-12-6-4-11(5-7-12)14-10-21-15(19-14)20-18-9-13-3-1-2-8-17-13/h1-10H,(H,19,20)/b18-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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 recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558295 (CHEMBL4782594) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558293 (CHEMBL4747507) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558292 (CHEMBL3787688) Show SMILES CC\C(=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558294 (CHEMBL4746565) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558290 (CHEMBL4744489) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					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)	BDBM50558289 (CHEMBL3785603) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					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
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558291 (CHEMBL4743580) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558288 (CHEMBL3785430) Show SMILES CC\C(=N/Nc1nc(cs1)-c1ccccc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair