Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50084228'   

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))	BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) Show SMILES CCN(CC)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C11H14N2O2S/c1-4-13(5-2)11-12-9-8(10(14)15-11)7(3)6-16-9/h6H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) Show SMILES CCN(CC)c1nc2scc(C)c2c(=O)o1 Show InChI InChI=1S/C11H14N2O2S/c1-4-13(5-2)11-12-9-8(10(14)15-11)7(3)6-16-9/h6H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase				J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG
					More data for this Ligand-Target Pair