Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50121910'   

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))	BDBM50121910 (CHEMBL30969 | [(S)-1-((2S,3S)-2-Butoxy-4-oxo-azeti...) Show SMILES CCCCO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C24H29N3O5/c1-2-3-14-31-23-20(22(29)27-23)26-21(28)19(15-17-10-6-4-7-11-17)25-24(30)32-16-18-12-8-5-9-13-18/h4-13,19-20,23H,2-3,14-16H2,1H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase(HLE)				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
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