Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'guedes' and Initial = 'rc'   

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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	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
Leukocyte 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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 51: 1783-90 (2008) Article DOI: 10.1021/jm701257h BindingDB Entry DOI: 10.7270/Q2ST7QPB
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release				Eur J Med Chem 45: 3858-63 (2010) Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50466080 (CHEMBL4288470) Show SMILES CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN(C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSCC(NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O Show InChI InChI=1S/C83H118N22O17S/c1-10-12-30-63-76(116)95-56(29-21-33-88-82(86)87)73(113)99-62(72(112)92-42-67(85)107)45-123-46-70(110)94-59(36-49-23-15-14-16-24-49)78(118)102(7)48(5)71(111)97-61(39-66(84)106)80(120)105-34-22-32-64(105)77(117)96-57(35-47(3)4)75(115)100-83(122)101(6)44-69(109)91-43-68(108)93-58(37-50-40-89-54-27-19-17-25-52(50)54)74(114)98-60(38-51-41-90-55-28-20-18-26-53(51)55)79(119)104(9)65(31-13-11-2)81(121)103(63)8/h14-20,23-28,40-41,47-48,56-65,89-90H,10-13,21-22,29-39,42-46H2,1-9H3,(H2,84,106)(H2,85,107)(H,91,109)(H,92,112)(H,93,108)(H,94,110)(H,95,116)(H,96,117)(H,97,111)(H,98,114)(H,99,113)(H4,86,87,88)(H,100,115,122)/t48-,56-,57-,58-,59-,60-,61-,62?,63-,64?,65-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of PD-L1 (unknown origin)				J Med Chem 61: 10957-10975 (2018) BindingDB Entry DOI: 10.7270/Q2PZ5CHN
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase 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 de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239947 (CHEMBL4089730 | US9872852, Example 202) Show SMILES COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O Show InChI InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of PD-L1 (unknown origin)				J Med Chem 61: 10957-10975 (2018) BindingDB Entry DOI: 10.7270/Q2PZ5CHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-7 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	59.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin release				Eur J Med Chem 45: 3858-63 (2010) Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukocyte elastase (Homo sapiens (Human))	BDBM50444295 (CHEMBL3093806) Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1 Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239945 (CHEMBL4062686 | US9872852, Example 200) Show SMILES Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C27H27F2NO6/c1-16-18(3-2-4-21(16)17-5-6-24-26(10-17)35-8-7-34-24)15-36-25-12-22(28)19(9-23(25)29)13-30-14-20(31)11-27(32)33/h2-6,9-10,12,20,30-31H,7-8,11,13-15H2,1H3,(H,32,33)/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of PD-L1 (unknown origin)				J Med Chem 61: 10957-10975 (2018) BindingDB Entry DOI: 10.7270/Q2PZ5CHN
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444297 (CHEMBL3093815) Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N 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/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...				Eur J Med Chem 46: 927-33 (2011) Article DOI: 10.1016/j.ejmech.2011.01.008 BindingDB Entry DOI: 10.7270/Q2ZC8345
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239943 (CHEMBL4099869 | US9872852, Example 8) Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of PD-L1 (unknown origin)				J Med Chem 61: 10957-10975 (2018) BindingDB Entry DOI: 10.7270/Q2PZ5CHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukocyte elastase (Homo sapiens (Human))	BDBM50444296 (CHEMBL3093814) Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM203861 ((5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophe...) Show SMILES CC(=O)Nc1ccc(\C=C\c2ccc(N=C=S)c(c2)S([O-])(=O)=O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C17H14N2O7S3/c1-11(20)19-14-6-5-13(16(9-14)28(21,22)23)4-2-12-3-7-15(18-10-27)17(8-12)29(24,25)26/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/p-2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	n/a
Universidade de Lisboa					Assay Description In this assay, the complementary single-stranded oligonucleotides at 100 μm were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH ...				Chem Biol Drug Des 88: 915-925 (2016) Article DOI: 10.1111/cbdd.12826 BindingDB Entry DOI: 10.7270/Q2Q52NGR
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444300 (CHEMBL3093808) Show SMILES O=C(Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H18N2O3S2/c29-22-15-20(17-32-26-27-21-13-7-8-14-24(21)33-26)28(19-11-5-2-6-12-19)16-23(22)31-25(30)18-9-3-1-4-10-18/h1-16H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444301 (CHEMBL3093809) Show SMILES CCC(CC)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1 Show InChI InChI=1S/C25H24N2O3S2/c1-3-17(4-2)24(29)30-22-15-27(18-10-6-5-7-11-18)19(14-21(22)28)16-31-25-26-20-12-8-9-13-23(20)32-25/h5-15,17H,3-4,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444312 (CHEMBL3093821) Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nnc(NC(=O)c3ccccc3)s2)cc1=O Show InChI InChI=1S/C20H19N3O5S2/c1-20(2,3)17(26)28-15-10-27-13(9-14(15)24)11-29-19-23-22-18(30-19)21-16(25)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N 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 KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ...				Eur J Med Chem 46: 927-33 (2011) Article DOI: 10.1016/j.ejmech.2011.01.008 BindingDB Entry DOI: 10.7270/Q2ZC8345
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444307 (CHEMBL3093816) Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3o2)cc1=O Show InChI InChI=1S/C18H17NO5S/c1-18(2,3)16(21)23-15-9-22-11(8-13(15)20)10-25-17-19-12-6-4-5-7-14(12)24-17/h4-9H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444302 (CHEMBL3093810) Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1 Show InChI InChI=1S/C24H22N2O3S2/c1-24(2,3)22(28)29-20-14-26(16-9-5-4-6-10-16)17(13-19(20)27)15-30-23-25-18-11-7-8-12-21(18)31-23/h4-14H,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444306 (CHEMBL3091487) Show SMILES CCC(CC)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O Show InChI InChI=1S/C19H19NO4S2/c1-3-12(4-2)18(22)24-16-10-23-13(9-15(16)21)11-25-19-20-14-7-5-6-8-17(14)26-19/h5-10,12H,3-4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444305 (CHEMBL3093812) Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3ccccc3o2)cc1=O)-c1ccccc1 Show InChI InChI=1S/C24H22N2O4S/c1-24(2,3)22(28)29-21-14-26(16-9-5-4-6-10-16)17(13-19(21)27)15-31-23-25-18-11-7-8-12-20(18)30-23/h4-14H,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte proteinase 3 (Homo sapiens (Human))	BDBM50384111 (CHEMBL2029556) Show SMILES COc1ccc(cc1)C(=O)N1C(=O)OC(C)(C)C1=O Show InChI InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50384108 (CHEMBL2029554) Show SMILES CC1(C)OC(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C12H13NO3/c1-12(2)10(14)13(11(15)16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50444299 (CHEMBL3093807) Show SMILES COc1ccccc1C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1 Show InChI InChI=1S/C27H20N2O4S2/c1-32-23-13-7-5-11-20(23)26(31)33-24-16-29(18-9-3-2-4-10-18)19(15-22(24)30)17-34-27-28-21-12-6-8-14-25(21)35-27/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50384112 (CHEMBL2029557) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)OC(C)(C)C1=O Show InChI InChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL 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
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins				Bioorg Med Chem Lett 22: 3993-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.093 BindingDB Entry DOI: 10.7270/Q2NZ88PG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 148 total )  |  Next  |  Last  >>

Jump to: