Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'ford' and Initial = 'gp'   

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))	BDBM50060371 (3-Acetoxymethyl-7-[1-bromo-1-methoxycarbonyl-meth-...) Show SMILES COC(=O)C(\Br)=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:15| Show InChI InChI=1S/C26H22BrNO7S/c1-15(29)34-13-18-14-36-24-19(20(27)25(31)33-2)23(30)28(24)21(18)26(32)35-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,22,24H,13-14H2,1-2H3/b20-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060355 (3-Acetoxymethyl-7-dibromomethylene-8-oxo-5-thia-1-...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Br2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060370 ((S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:26| Show InChI InChI=1S/C24H23NO8S/c1-15(26)32-13-18-14-34(29,30)23-21(31-2)22(27)25(23)19(18)24(28)33-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,23H,13-14H2,1-2H3/t21-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060337 (3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-8-oxo...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C24H20BrNO5S/c1-15(27)30-13-18-14-32-23-19(12-25)22(28)26(23)20(18)24(29)31-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060352 (3-Acetoxymethyl-7-[1-cyano-meth-(Z)-ylidene]-5,5,8...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C/C#N)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H20N2O7S/c1-16(28)33-14-19-15-35(31,32)24-20(12-13-26)23(29)27(24)21(19)25(30)34-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24H,14-15H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50454654 (CHEMBL2311166) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)CCl Show InChI InChI=1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060363 (3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060358 ((S)-3-Acetoxymethyl-7-iodo-8-oxo-5-thia-1-aza-bicy...) Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](I)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H20INO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060364 (3-Acetoxymethyl-7,7-dibromo-8-oxo-5-thia-1-aza-bic...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(Br)(Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H19Br2NO5S/c1-14(27)30-12-17-13-32-22-23(24,25)21(29)26(22)18(17)20(28)31-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19,22H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060369 (3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060333 (3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-5,5,8...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C\Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C24H20BrNO7S/c1-15(27)32-13-18-14-34(30,31)23-19(12-25)22(28)26(23)20(18)24(29)33-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060340 (3-Acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](/Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Cl2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060347 (3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...) Show SMILES COC(=O)\C=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C26H23NO7S/c1-16(28)33-14-19-15-35-25-20(13-21(29)32-2)24(30)27(25)22(19)26(31)34-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060335 ((S)-3-Acetoxymethyl-7-chloro-8-oxo-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H20ClNO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060333 (3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-5,5,8...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C\Br)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C24H20BrNO7S/c1-15(27)32-13-18-14-34(30,31)23-19(12-25)22(28)26(23)20(18)24(29)33-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060336 (3-Acetoxymethyl-5,5,8-trioxo-7-vinylidene-5lambda*...) Show SMILES CC(=O)OCC1=C(N2C(C(=C=C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO7S/c1-3-20-23(28)26-21(19(14-32-16(2)27)15-34(30,31)24(20)26)25(29)33-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060342 (3-Acetoxymethyl-8-oxo-7-[2-oxo-prop-(Z)-ylidene]-5...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=CC(C)=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |w:12.13,t:5| Show InChI InChI=1S/C26H23NO6S/c1-16(28)13-21-24(30)27-22(20(14-32-17(2)29)15-34-25(21)27)26(31)33-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060369 (3-Acetoxymethyl-7-dibromomethylene-5,5,8-trioxo-5l...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Br2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060351 (3-Acetoxymethyl-8-oxo-7-[2-oxo-eth-(Z)-ylidene]-5-...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,22,24H,14-15H2,1H3/b20-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060368 ((S)-3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-b...) Show SMILES CO[C@@H]1C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:11| Show InChI InChI=1S/C24H23NO6S/c1-15(26)30-13-18-14-32-23-21(29-2)22(27)25(23)19(18)24(28)31-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20-21,23H,13-14H2,1-2H3/t21-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060353 (3-Acetoxymethyl-7-bromovinylidene-8-oxo-5-thia-1-a...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CBr)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5,(13.64,-2.35,;12.32,-3.12,;12.32,-4.66,;10.98,-2.35,;9.63,-3.14,;8.31,-2.37,;6.97,-3.14,;5.62,-2.37,;5.66,-.83,;6.97,-.04,;8.31,-.81,;4.11,-.81,;3.03,.28,;1.94,1.37,;2.32,2.88,;4.09,-2.35,;2.99,-3.44,;6.97,-4.68,;5.62,-5.45,;8.31,-5.45,;8.31,-6.99,;9.63,-7.76,;9.63,-9.3,;10.97,-10.07,;12.3,-9.3,;12.3,-7.74,;10.95,-6.99,;6.97,-7.76,;5.62,-6.99,;4.31,-7.76,;4.31,-9.3,;5.66,-10.07,;6.97,-9.3,)| Show InChI InChI=1S/C25H20BrNO5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,22,24H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060348 (3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-8...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CC(C)(C)C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5,(13.64,-2.35,;12.32,-3.12,;12.32,-4.66,;10.98,-2.35,;9.63,-3.14,;8.31,-2.37,;6.97,-3.14,;5.62,-2.37,;5.66,-.83,;6.97,-.04,;8.31,-.81,;4.11,-.81,;3.03,.28,;1.94,1.37,;2.32,2.88,;3.8,3.27,;1.23,3.97,;2.73,4.36,;4.08,-2.35,;2.99,-3.44,;6.97,-4.68,;5.62,-5.45,;8.31,-5.45,;8.31,-6.99,;6.97,-7.76,;5.62,-6.99,;4.31,-7.76,;4.31,-9.3,;5.66,-10.07,;6.97,-9.3,;9.63,-7.76,;10.95,-6.99,;12.3,-7.74,;12.3,-9.3,;10.97,-10.07,;9.63,-9.3,)| Show InChI InChI=1S/C29H29NO5S/c1-19(31)34-17-22-18-36-27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)35-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060358 ((S)-3-Acetoxymethyl-7-iodo-8-oxo-5-thia-1-aza-bicy...) Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](I)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H20INO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060366 (3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(E)-...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060359 (3-Acetoxymethyl-5,5,8-trioxo-7-[2-oxo-prop-(Z)-yli...) Show SMILES CC(=O)OCC1=C(N2C(C(=CC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |w:10.10,t:5| Show InChI InChI=1S/C26H23NO8S/c1-16(28)13-21-24(30)27-22(20(14-34-17(2)29)15-36(32,33)25(21)27)26(31)35-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060335 ((S)-3-Acetoxymethyl-7-chloro-8-oxo-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@@H](Cl)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H20ClNO5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13H2,1H3/t18-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060336 (3-Acetoxymethyl-5,5,8-trioxo-7-vinylidene-5lambda*...) Show SMILES CC(=O)OCC1=C(N2C(C(=C=C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO7S/c1-3-20-23(28)26-21(19(14-32-16(2)27)15-34(30,31)24(20)26)25(29)33-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060343 (3-Acetoxymethyl-7-dichloromethylene-8-oxo-5-thia-1...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](-[#16]-[#6]-1)\[#6](=[#6](/Cl)Cl)-[#6]-2=O)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Cl2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060355 (3-Acetoxymethyl-7-dibromomethylene-8-oxo-5-thia-1-...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Br2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.42E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060341 (3-Acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C29H29NO9S/c1-18(31)37-16-21-17-40(35,36)27-22(15-23(32)39-29(2,3)4)26(33)30(27)24(21)28(34)38-25(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,25,27H,16-17H2,1-4H3/b22-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060346 (3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...) Show SMILES COC(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:29| Show InChI InChI=1S/C26H23NO9S/c1-16(28)35-14-19-15-37(32,33)25-20(13-21(29)34-2)24(30)27(25)22(19)26(31)36-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060338 (3-Acetoxymethyl-5,5,8-trioxo-7-[1-phenyl-meth-(Z)-...) Show SMILES CC(=O)OCC1=C(N2C(\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C30H25NO7S/c1-20(32)37-18-24-19-39(35,36)29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)38-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060363 (3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060337 (3-Acetoxymethyl-7-[1-bromo-meth-(E)-ylidene]-8-oxo...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C\Br)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C24H20BrNO5S/c1-15(27)30-13-18-14-32-23-19(12-25)22(28)26(23)20(18)24(29)31-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,21,23H,13-14H2,1H3/b19-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060334 (3-Acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C29H29NO7S/c1-18(31)35-16-21-17-38-27-22(15-23(32)37-29(2,3)4)26(33)30(27)24(21)28(34)36-25(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,25,27H,16-17H2,1-4H3/b22-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060342 (3-Acetoxymethyl-8-oxo-7-[2-oxo-prop-(Z)-ylidene]-5...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=CC(C)=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |w:12.13,t:5| Show InChI InChI=1S/C26H23NO6S/c1-16(28)13-21-24(30)27-22(20(14-32-17(2)29)15-34-25(21)27)26(31)33-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,23,25H,14-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060343 (3-Acetoxymethyl-7-dichloromethylene-8-oxo-5-thia-1...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](-[#16]-[#6]-1)\[#6](=[#6](/Cl)Cl)-[#6]-2=O)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Cl2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060344 ((R)-3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bic...) Show SMILES CC(=O)OCC1=C(N2C(SC1)[C@H](N)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H22N2O5S/c1-14(26)29-12-17-13-31-22-18(24)21(27)25(22)19(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,18,20,22H,12-13,24H2,1H3/t18-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060339 (3-Acetoxymethyl-7,8-dioxo-5-thia-1-aza-bicyclo[4.2...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=O)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H19NO6S/c1-14(25)29-12-17-13-31-22-19(26)21(27)24(22)18(17)23(28)30-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,22H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060345 (3-Acetoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]o...) Show SMILES CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H21NO5S/c1-15(25)28-13-18-14-30-20-12-19(26)24(20)21(18)23(27)29-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,20,22H,12-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060349 (3-Acetoxymethyl-7-(3,3-dimethyl-but-1-enylidene)-5...) Show SMILES CC(=O)OCC1=C(N2C(C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5,(13.64,-2.35,;12.32,-3.12,;12.32,-4.66,;10.98,-2.35,;9.63,-3.14,;8.31,-2.37,;6.97,-3.14,;5.62,-2.37,;5.66,-.83,;4.11,-.81,;3.03,.28,;1.94,1.37,;2.32,2.88,;2.73,4.36,;3.8,3.27,;1.23,3.97,;4.08,-2.35,;2.99,-3.44,;6.97,-.04,;8.29,.73,;5.62,.73,;8.31,-.81,;6.97,-4.68,;5.62,-5.45,;8.31,-5.45,;8.31,-6.99,;6.97,-7.76,;6.97,-9.3,;5.66,-10.07,;4.31,-9.3,;4.31,-7.76,;5.62,-6.99,;9.63,-7.76,;9.63,-9.3,;10.97,-10.07,;12.3,-9.3,;12.3,-7.74,;10.95,-6.99,)| Show InChI InChI=1S/C29H29NO7S/c1-19(31)36-17-22-18-38(34,35)27-23(15-16-29(2,3)4)26(32)30(27)24(22)28(33)37-25(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,16,25,27H,17-18H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060345 (3-Acetoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]o...) Show SMILES CC(=O)OCC1=C(N2C(CC2=O)SC1)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C23H21NO5S/c1-15(25)28-13-18-14-30-20-12-19(26)24(20)21(18)23(27)29-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,20,22H,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060353 (3-Acetoxymethyl-7-bromovinylidene-8-oxo-5-thia-1-a...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=CBr)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5,(13.64,-2.35,;12.32,-3.12,;12.32,-4.66,;10.98,-2.35,;9.63,-3.14,;8.31,-2.37,;6.97,-3.14,;5.62,-2.37,;5.66,-.83,;6.97,-.04,;8.31,-.81,;4.11,-.81,;3.03,.28,;1.94,1.37,;2.32,2.88,;4.09,-2.35,;2.99,-3.44,;6.97,-4.68,;5.62,-5.45,;8.31,-5.45,;8.31,-6.99,;9.63,-7.76,;9.63,-9.3,;10.97,-10.07,;12.3,-9.3,;12.3,-7.74,;10.95,-6.99,;6.97,-7.76,;5.62,-6.99,;4.31,-7.76,;4.31,-9.3,;5.66,-10.07,;6.97,-9.3,)| Show InChI InChI=1S/C25H20BrNO5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,22,24H,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060347 (3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...) Show SMILES COC(=O)\C=C1/C2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C26H23NO7S/c1-16(28)33-14-19-15-35-25-20(13-21(29)32-2)24(30)27(25)22(19)26(31)34-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060340 (3-Acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](\[#6](=[#6](/Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Cl2NO7S/c1-14(28)33-12-17-13-35(31,32)23-18(21(25)26)22(29)27(23)19(17)24(30)34-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060350 (3-Acetoxymethyl-8-oxo-7-[1-pyridin-2-yl-meth-(Z)-y...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccn1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C29H24N2O5S/c1-19(32)35-17-22-18-37-28-24(16-23-14-8-9-15-30-23)27(33)31(28)25(22)29(34)36-26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-16,26,28H,17-18H2,1H3/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060346 (3-Acetoxymethyl-7-[1-methoxycarbonyl-meth-(Z)-ylid...) Show SMILES COC(=O)\C=C1/C2N(C1=O)C(C(=O)OC(c1ccccc1)c1ccccc1)=C(COC(C)=O)CS2(=O)=O |t:29| Show InChI InChI=1S/C26H23NO9S/c1-16(28)35-14-19-15-37(32,33)25-20(13-21(29)34-2)24(30)27(25)22(19)26(31)36-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,23,25H,14-15H2,1-2H3/b20-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060354 (3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-ox...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H23NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24,27H,13-15H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50060356 (3-Acetoxymethyl-7-[1-cyano-meth-(Z)-ylidene]-8-oxo...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/C#N)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H20N2O5S/c1-16(28)31-14-19-15-33-24-20(12-13-26)23(29)27(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24H,14-15H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060357 (3-Acetoxymethyl-8-oxo-7-[1-phenyl-meth-(Z)-ylidene...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/c1ccccc1)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C30H25NO5S/c1-20(32)35-18-24-19-37-29-25(17-21-11-5-2-6-12-21)28(33)31(29)26(24)30(34)36-27(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,27,29H,18-19H2,1H3/b25-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair

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