Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'gouveia' and Initial = 'l'   

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))	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
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
Collagenase 3 (Homo sapiens (Human))	BDBM50151740 ((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151751 (3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...) Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168742 ((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163809 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-5-yl-phe...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cnco3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H23N3O7/c1-2-31-12-11-24(21(28)20(25)22(29)27-23(24)30)34-18-9-7-17(8-10-18)33-16-5-3-15(4-6-16)19-13-26-14-32-19/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163808 (5-Amino-3-(2-ethoxy-ethyl)-3-{4-[4-(1H-pyrazol-4-y...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cn[nH]c3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H24N4O6/c1-2-32-12-11-24(21(29)20(25)22(30)28-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-15(4-6-17)16-13-26-27-14-16/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,26,27)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163807 (5-Amino-3-[4-(4-bromo-phenoxy)-phenoxy]-3-(2-ethox...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(Br)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C21H21BrN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163812 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-fluoro-phenoxy)...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C21H21FN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151734 ((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163824 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-imidazol-1-yl-p...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-n3ccnc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H24N4O6/c1-2-32-14-11-24(21(29)20(25)22(30)27-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-16(4-6-17)28-13-12-26-15-28/h3-10,12-13,15,20H,2,11,14,25H2,1H3,(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease 12				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163799 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-[1,3,4]oxadiazo...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nnco3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C23H22N4O7/c1-2-31-12-11-23(19(28)18(24)20(29)26-22(23)30)34-17-9-7-16(8-10-17)33-15-5-3-14(4-6-15)21-27-25-13-32-21/h3-10,13,18H,2,11-12,24H2,1H3,(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50168737 ((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-8				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151736 (3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...) Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151741 ((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...) Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151738 (3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...) Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163811 (5-Amino-3-[4-(4-chloro-phenoxy)-phenoxy]-3-(2-etho...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C21H21ClN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163796 (5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-2-yl-phe...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C24H23N3O7/c1-2-31-13-11-24(20(28)19(25)21(29)27-23(24)30)34-18-9-7-17(8-10-18)33-16-5-3-15(4-6-16)22-26-12-14-32-22/h3-10,12,14,19H,2,11,13,25H2,1H3,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168743 ((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163802 (5-Amino-3-[4-(biphenyl-4-yloxy)-phenoxy]-3-(2-etho...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C27H26N2O6/c1-2-33-17-16-27(24(30)23(28)25(31)29-26(27)32)35-22-14-12-21(13-15-22)34-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15,23H,2,16-17,28H2,1H3,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Rattus norvegicus)	BDBM50168758 ((2R,3S)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...) Show SMILES CC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against rat TACE				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168738 ((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163828 (5-Butyl-5-[4-(4-fluoro-phenoxy)-phenoxy]-pyrimidin...) Show SMILES CCCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C20H19FN2O5/c1-2-3-12-20(17(24)22-19(26)23-18(20)25)28-16-10-8-15(9-11-16)27-14-6-4-13(21)5-7-14/h4-11H,2-3,12H2,1H3,(H2,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50163797 (5-Amino-3-(2-ethoxy-ethyl)-3-(4-p-tolyloxy-phenoxy...) Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(C)cc3)cc2)C(=O)NC(=O)C(N)C1=O Show InChI InChI=1S/C22H24N2O6/c1-3-28-13-12-22(19(25)18(23)20(26)24-21(22)27)30-17-10-8-16(9-11-17)29-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13,23H2,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 15: 1807-10 (2005) Article DOI: 10.1016/j.bmcl.2005.02.038 BindingDB Entry DOI: 10.7270/Q2JH3KPW
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168752 ((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...) Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151746 (4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair

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