Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'oliveira' and Initial = 'r'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50303364 (1-(4-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3o2)cc1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-27-20-22-16-7-5-6-8-17(16)26-20/h5-12H,3-4,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303371 (1-(6-((Benzo[d]thiazol-2-ylthio)methyl)pyridin-3-y...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3s2)nc1 Show InChI InChI=1S/C20H19N3O2S2/c1-3-20(4-2)17(24)23(18(20)25)14-10-9-13(21-11-14)12-26-19-22-15-7-5-6-8-16(15)27-19/h5-11H,3-4,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM234270 (4-oxo-β-lactam (3)) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H21NO4S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-26(24,25)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	-52.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Lisbon					Assay Description The inhibition of the HLE was studied at 25°C by continuously monitoring the absorbance at 410 nm for 20 min of a solution prepared by mixing 10 _...				J Enzyme Inhib Med Chem 26: 169-75 (2011) Article DOI: 10.3109/14756366.2010.486794 BindingDB Entry DOI: 10.7270/Q2B56HM0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50235615 (3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303369 (1-(4-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-26-20-22-16-7-5-6-8-17(16)27-20/h5-12H,3-4,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303373 (3-butyl-3-ethyl-1-phenylazetidine-2,4-dione | CHEM...) Show SMILES CCCCC1(CC)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C15H19NO2/c1-3-5-11-15(4-2)13(17)16(14(15)18)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303363 (2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1 Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303370 (1-(4-((5-Phenyl-1,3,4-oxadiazol-2-ylthio)methyl)ph...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nnc(o2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H21N3O3S/c1-3-22(4-2)19(26)25(20(22)27)17-12-10-15(11-13-17)14-29-21-24-23-18(28-21)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50235613 (3,3-diethyl-1-phenylazetidine-2,4-dione | CHEMBL27...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C13H15NO2/c1-3-13(4-2)11(15)14(12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303357 (3,3-Diethyl-1-(6-methylpyridin-3-yl)azetidine-2,4-...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(C)nc1 Show InChI InChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303372 (3,3-Diethyl-1-(4-((phenylthio)methyl)phenyl)azetid...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2ccccc2)cc1 Show InChI InChI=1S/C20H21NO2S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-24-17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303356 (3,3-Diethyl-1-(pyridin-3-yl)azetidine-2,4-dione | ...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1cccnc1 Show InChI InChI=1S/C12H14N2O2/c1-3-12(4-2)10(15)14(11(12)16)9-6-5-7-13-8-9/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303361 (3-Ethyl-3-isobutyl-1-phenylazetidine-2,4-dione | C...) Show SMILES CCC1(CC(C)C)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C15H19NO2/c1-4-15(10-11(2)3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303365 (1-(2-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2o1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-27-20-22-15-10-6-8-12-17(15)26-20/h5-12H,3-4,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50235616 (1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione...) Show SMILES CC1(C)C(=O)N(C1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C11H10ClNO2/c1-11(2)9(14)13(10(11)15)8-5-3-7(12)4-6-8/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303358 (3,3-Diethyl-1-(naphthalen-1-yl)azetidine-2,4-dione...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1cccc2ccccc12 Show InChI InChI=1S/C17H17NO2/c1-3-17(4-2)15(19)18(16(17)20)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50235610 (1-benzyl-3,3-dimethylazetidine-2,4-dione | CHEMBL5...) Show SMILES CC1(C)C(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C12H13NO2/c1-12(2)10(14)13(11(12)15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50235611 (4-(3,3-diethyl-2,4-dioxoazetidin-1-yl)benzonitrile...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C14H14N2O2/c1-3-14(4-2)12(17)16(13(14)18)11-7-5-10(9-15)6-8-11/h5-8H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303362 (1-(2-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2s1 Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-26-20-22-15-10-6-8-12-17(15)27-20/h5-12H,3-4,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303359 (1-benzyl-3,3-diethylazetidine-2,4-dione | CHEMBL27...) Show SMILES CCC1(CC)C(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C14H17NO2/c1-3-14(4-2)12(16)15(13(14)17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303374 (3-Benzyl-3-ethyl-1-phenylazetidine-2,4-dione | CHE...) Show SMILES CCC1(Cc2ccccc2)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C18H17NO2/c1-2-18(13-14-9-5-3-6-10-14)16(20)19(17(18)21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303368 (1-(2-((1-Methyl-1H-imidazol-2-ylthio)methyl)phenyl...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nccn1C Show InChI InChI=1S/C18H21N3O2S/c1-4-18(5-2)15(22)21(16(18)23)14-9-7-6-8-13(14)12-24-17-19-10-11-20(17)3/h6-11H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303360 (CHEMBL271820 | ethyl 2-(3,3-Diethyl-2,4-dioxoazeti...) Show SMILES CCOC(=O)CN1C(=O)C(CC)(CC)C1=O Show InChI InChI=1S/C11H17NO4/c1-4-11(5-2)9(14)12(10(11)15)7-8(13)16-6-3/h4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303355 (3,3-Diethyl-1-o-tolylazetidine-2,4-dione | CHEMBL5...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1C Show InChI InChI=1S/C14H17NO2/c1-4-14(5-2)12(16)15(13(14)17)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50518231 (CHEMBL597248 | GNF-Pf-4180 | MMV006169) Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50546138 (CHEMBL4793916) Show SMILES Cl.Cl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303366 (3-Benzyl-3-methyl-1-phenylazetidine-2,4-dione | CH...) Show SMILES CC1(Cc2ccccc2)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50546136 (CHEMBL531738) Show SMILES Cn1c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)cc2n(C)c1=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain in presence of varying levels of Z-phe-Arg-amidomethylcoumarin substrate by Lineweave...				Bioorg Med Chem 25: 1889-1900 (2017) Article DOI: 10.1016/j.bmc.2017.02.009 BindingDB Entry DOI: 10.7270/Q21838R0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain Hippocampus				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50571301 (CHEMBL4861510) Show SMILES [Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain cortex				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50571301 (CHEMBL4861510) Show SMILES [Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain Hippocampus				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					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	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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain cortex				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					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)	BDBM50546137 (CHEMBL582420 | MMV019202 | TCMDC-123752) Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+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 without preincubation by f...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM12042 ((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Oswaldo Cruz Curated by ChEMBL					Assay Description Irreversible inhibition of Trypanosoma cruzi cruzipain				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111610 BindingDB Entry DOI: 10.7270/Q2SB493S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain Striatum				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50546139 (CHEMBL533921 | MMV666072 | TCMDC-124653) Show SMILES COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 preincubated for 10 mins followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM234404 (3,4-Dimethoxycinnamoylcholine chloride (1)) Show SMILES COc1ccc(\C=C\C(=O)OCC[N+](C)(C)C)cc1OC Show InChI InChI=1S/C16H24NO4/c1-17(2,3)10-11-21-16(18)9-7-13-6-8-14(19-4)15(12-13)20-5/h6-9,12H,10-11H2,1-5H3/q+1/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	8.0	n/a
Instituto Superior Técnico					Assay Description AChE enzymatic activity was measured using an adaptation of the method previously described [Ingkaninan et al., J. Ethnopharmacol., 89:261-264]; 98 &...				J Enzyme Inhib Med Chem 26: 485-97 (2011) Article DOI: 10.3109/14756366.2010.529806 BindingDB Entry DOI: 10.7270/Q2862FBS
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50015950 (1,3-bis(2-chloroethyl)-1-nitrosourea | Bicnu (TN) ...) Show SMILES ClCCNC(=O)N(CCCl)N=O Show InChI InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50518231 (CHEMBL597248 | GNF-Pf-4180 | MMV006169) Show SMILES C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+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 without preincubation by f...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50546139 (CHEMBL533921 | MMV666072 | TCMDC-124653) Show SMILES COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate preincubated for 10 mins followed by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.06.062 BindingDB Entry DOI: 10.7270/Q2HM5D27
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Mus musculus)	BDBM50485275 (CHEMBL2043204 | LASSBio-998) Show SMILES CCOC(=O)c1cc2cc3OCOc3cc2nc1NC(=O)NC1CCCCC1 Show InChI InChI=1S/C20H23N3O5/c1-2-26-19(24)14-8-12-9-16-17(28-11-27-16)10-15(12)22-18(14)23-20(25)21-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H2,21,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of LPS-induced p38 MAPK activation in BALB/c mouse peritoneal macrophages				Eur J Med Chem 54: 264-71 (2012) Article DOI: 10.1016/j.ejmech.2012.05.006 BindingDB Entry DOI: 10.7270/Q2JM2DGS
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM68089 ((2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone |...) Show SMILES O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1 Show InChI InChI=1S/C18H16N2O/c21-18-16(12-14-4-8-19-9-5-14)2-1-3-17(18)13-15-6-10-20-11-7-15/h4-13H,1-3H2/b16-12+,17-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...				Eur J Med Chem 71: 282-9 (2014) Article DOI: 10.1016/j.ejmech.2013.11.011 BindingDB Entry DOI: 10.7270/Q25Q4XKQ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-amidomethylcoumarin as substrate by fluorometric method				Bioorg Med Chem 25: 1889-1900 (2017) Article DOI: 10.1016/j.bmc.2017.02.009 BindingDB Entry DOI: 10.7270/Q21838R0
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322743 (8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...) Show SMILES Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1 Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-amidomethylcoumarin as substrate by fluorometric method				Bioorg Med Chem 25: 1889-1900 (2017) Article DOI: 10.1016/j.bmc.2017.02.009 BindingDB Entry DOI: 10.7270/Q21838R0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50571300 (CHEMBL4859777) Show SMILES [Cl-].C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain Cerebellum				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50571301 (CHEMBL4861510) Show SMILES [Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE in rat brain Cerebellum				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128206 BindingDB Entry DOI: 10.7270/Q2G73JHV
					More data for this Ligand-Target Pair

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