Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'dias' and Initial = 'lc'   

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)	BDBM50007630 (CHEMBL3233095) Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	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 Competitive inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate by Lineweaver-Burk plot analys...				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007630 (CHEMBL3233095) Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50612895 (CHEMBL5287453) Show SMILES NC(=S)N\N=C\c1ccc(o1)-c1ccc(Br)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007636 (CHEMBL3233119) Show SMILES COc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1 Show InChI InChI=1S/C22H20BrN3O3/c1-28-15-7-8-17-18(12-15)26-20(25-17)10-11-24-21(27)13-29-19-9-6-14-4-2-3-5-16(14)22(19)23/h2-9,12H,10-11,13H2,1H3,(H,24,27)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007635 (CHEMBL3233118) Show SMILES Clc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1 Show InChI InChI=1S/C21H17BrClN3O2/c22-21-15-4-2-1-3-13(15)5-8-18(21)28-12-20(27)24-10-9-19-25-16-7-6-14(23)11-17(16)26-19/h1-8,11H,9-10,12H2,(H,24,27)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007637 (CHEMBL3233120) Show SMILES Cc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1 Show InChI InChI=1S/C22H20BrN3O2/c1-14-6-8-17-18(12-14)26-20(25-17)10-11-24-21(27)13-28-19-9-7-15-4-2-3-5-16(15)22(19)23/h2-9,12H,10-11,13H2,1H3,(H,24,27)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322742 (CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...) Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	800	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50007623 (CHEMBL3233088) Show SMILES Brc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-4-3-5-13(10-12)23-11-17(22)19-9-8-16-20-14-6-1-2-7-15(14)21-16/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114666 (5-(4-chlorophenyl)-2-furaldehyde thiosemicarbazone...) Show SMILES NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3| Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007619 (CHEMBL3233083) Show SMILES Ic1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16IN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007624 (CHEMBL3233089) Show SMILES Brc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-7-13(8-6-12)23-11-17(22)19-10-9-16-20-14-3-1-2-4-15(14)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007626 (CHEMBL3233091) Show SMILES O=C(COc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H19N3O2/c25-21(14-26-17-10-9-15-5-1-2-6-16(15)13-17)22-12-11-20-23-18-7-3-4-8-19(18)24-20/h1-10,13H,11-12,14H2,(H,22,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007618 (CHEMBL3233082) Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16ClN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007622 (CHEMBL1346687) Show SMILES Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007625 (CHEMBL3233090) Show SMILES O=C(COc1cccc2ccccc12)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H19N3O2/c25-21(14-26-19-11-5-7-15-6-1-2-8-16(15)19)22-13-12-20-23-17-9-3-4-10-18(17)24-20/h1-11H,12-14H2,(H,22,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007617 (CHEMBL3233081) Show SMILES Fc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16FN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007629 (CHEMBL3233094) Show SMILES Oc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H19N3O3/c25-20(22-12-11-19-23-16-7-3-4-8-17(16)24-19)13-27-18-10-9-14-5-1-2-6-15(14)21(18)26/h1-10,26H,11-13H2,(H,22,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007634 (CHEMBL3233116) Show SMILES CC(=O)n1c(CCNC(=O)COc2ccc(Br)cc2)nc2ccccc12 Show InChI InChI=1S/C19H18BrN3O3/c1-13(24)23-17-5-3-2-4-16(17)22-18(23)10-11-21-19(25)12-26-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007616 (CHEMBL1572619) Show SMILES O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H17N3O2/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50020696 (CHEMBL3291135) Show SMILES Cc1c(\C=N\NC(=O)c2ccc(cc2)[N+]([O-])=O)no[n+]1[O-] Show InChI InChI=1S/C11H9N5O5/c1-7-10(14-21-16(7)20)6-12-13-11(17)8-2-4-9(5-3-8)15(18)19/h2-6H,1H3,(H,13,17)/b12-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo (USP) Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain expressed in Escherichia coli M15/DH5alpha using Z-Phe-Arg-AMC as substrate by spectrofluorometry				Eur J Med Chem 82: 418-25 (2014) Article DOI: 10.1016/j.ejmech.2014.05.077 BindingDB Entry DOI: 10.7270/Q2W37XVR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007628 (CHEMBL3233093) Show SMILES OCc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C22H21N3O3/c26-13-17-16-6-2-1-5-15(16)9-10-20(17)28-14-22(27)23-12-11-21-24-18-7-3-4-8-19(18)25-21/h1-10,26H,11-14H2,(H,23,27)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007621 (CHEMBL3233085) Show SMILES [O-][N+](=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16N4O4/c22-17(11-25-15-8-4-3-7-14(15)21(23)24)18-10-9-16-19-12-5-1-2-6-13(12)20-16/h1-8H,9-11H2,(H,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007627 (CHEMBL3233092) Show SMILES O=Cc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C22H19N3O3/c26-13-17-16-6-2-1-5-15(16)9-10-20(17)28-14-22(27)23-12-11-21-24-18-7-3-4-8-19(18)25-21/h1-10,13H,11-12,14H2,(H,23,27)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50020697 (CHEMBL3291142) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C16H11N5O5/c22-16(12-6-8-13(9-7-12)20(23)24)18-17-10-14-15(19-26-21(14)25)11-4-2-1-3-5-11/h1-10H,(H,18,22)/b17-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo (USP) Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain expressed in Escherichia coli M15/DH5alpha using Z-Phe-Arg-AMC as substrate by spectrofluorometry				Eur J Med Chem 82: 418-25 (2014) Article DOI: 10.1016/j.ejmech.2014.05.077 BindingDB Entry DOI: 10.7270/Q2W37XVR
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007633 (CHEMBL3233115) Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2n1CCC=C Show InChI InChI=1S/C21H22ClN3O2/c1-2-3-14-25-18-10-6-5-9-17(18)24-20(25)12-13-23-21(26)15-27-19-11-7-4-8-16(19)22/h2,4-11H,1,3,12-15H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.39E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007632 (CHEMBL3233097) Show SMILES O=C(CSc1ccccc1)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H17N3OS/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50612891 (CHEMBL5278633) Show SMILES OCCNCc1ccc(o1)-c1ccc(Br)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007620 (CHEMBL3233084) Show SMILES O=C(COc1ccccc1C#N)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H16N4O2/c19-11-13-5-1-4-8-16(13)24-12-18(23)20-10-9-17-21-14-6-2-3-7-15(14)22-17/h1-8H,9-10,12H2,(H,20,23)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.51E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007631 (CHEMBL3233096) Show SMILES Brc1ccccc1CCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H18BrN3O/c19-14-6-2-1-5-13(14)9-10-18(23)20-12-11-17-21-15-7-3-4-8-16(15)22-17/h1-8H,9-12H2,(H,20,23)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.75E+4	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 cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins				J Med Chem 57: 2380-92 (2014) Article DOI: 10.1021/jm401709b BindingDB Entry DOI: 10.7270/Q2GT5PPC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50612892 (CHEMBL5290080) Show SMILES Clc1cc(Br)ccc1-c1ccc(CNCCN2CCOCC2)o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50612894 (CHEMBL5276592) Show SMILES OCC(CO)NCc1ccc(o1)-c1ccc(Cl)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50612893 (CHEMBL5283531) Show SMILES OCC(CO)NCc1ccc(o1)-c1ccc(Br)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair