Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50003142   

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))	BDBM50025846 (2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...) Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of human leukocyte elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225469 (CHEMBL302653) Show SMILES CCCCNC(=O)n1ccnc1CC Show InChI InChI=1S/C10H17N3O/c1-3-5-6-12-10(14)13-8-7-11-9(13)4-2/h7-8H,3-6H2,1-2H3,(H,12,14)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50025846 (2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid me...) Show SMILES CCC[C@H](NC(=O)n1ccnc1)C(=O)OC Show InChI InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50025852 (2-[(Imidazole-1-carbonyl)-amino]-hexanoic acid met...) Show SMILES CCCCC(NC(=O)n1ccnc1)C(=O)OC Show InChI InChI=1S/C11H17N3O3/c1-3-4-5-9(10(15)17-2)13-11(16)14-7-6-12-8-14/h6-9H,3-5H2,1-2H3,(H,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of human leukocyte elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50025849 (2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...) Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.11E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225473 (CHEMBL65258) Show SMILES [H][C@@](CC(C)C)(NC(=O)n1ccnc1)C(=O)OC Show InChI InChI=1S/C11H17N3O3/c1-8(2)6-9(10(15)17-3)13-11(16)14-5-4-12-7-14/h4-5,7-9H,6H2,1-3H3,(H,13,16)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225471 (CHEMBL63295) Show SMILES [H][C@](NC(=O)n1ccnc1)(C(C)CC)C(=O)OC Show InChI InChI=1S/C11H17N3O3/c1-4-8(2)9(10(15)17-3)13-11(16)14-6-5-12-7-14/h5-9H,4H2,1-3H3,(H,13,16)/t8?,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225472 (CHEMBL63484 | Imidazole-1-Carboxylic Acid Butylami...) Show SMILES CCCCNC(=O)n1ccnc1 Show InChI InChI=1S/C8H13N3O/c1-2-3-4-10-8(12)11-6-5-9-7-11/h5-7H,2-4H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50025849 (2-[(Imidazole-1-carbonyl)-amino]-3-methyl-butyric ...) Show SMILES COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C Show InChI InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of human leukocyte elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50025852 (2-[(Imidazole-1-carbonyl)-amino]-hexanoic acid met...) Show SMILES CCCCC(NC(=O)n1ccnc1)C(=O)OC Show InChI InChI=1S/C11H17N3O3/c1-3-4-5-9(10(15)17-2)13-11(16)14-7-6-12-8-14/h6-9H,3-5H2,1-2H3,(H,13,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.94E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225470 (CHEMBL294543) Show SMILES CCCCNC(=O)n1ccnc1C Show InChI InChI=1S/C9H15N3O/c1-3-4-5-11-9(13)12-7-6-10-8(12)2/h6-7H,3-5H2,1-2H3,(H,11,13)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.41E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225467 (CHEMBL293476) Show SMILES CCCCCCCc1nccn1C(=O)NCCCC Show InChI InChI=1S/C15H27N3O/c1-3-5-7-8-9-10-14-16-12-13-18(14)15(19)17-11-6-4-2/h12-13H,3-11H2,1-2H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.41E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50225468 (CHEMBL63581) Show SMILES CCCCNC(=O)n1cnc(C)c1 Show InChI InChI=1S/C9H15N3O/c1-3-4-5-10-9(13)12-6-8(2)11-7-12/h6-7H,3-5H2,1-2H3,(H,10,13)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.23E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ki value was evaluated for the inhibition of porcine pancreatic elastase				J Med Chem 28: 204-9 (1985) BindingDB Entry DOI: 10.7270/Q29S1Q1V
					More data for this Ligand-Target Pair