Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50296825'   

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))	BDBM50296825 (3-(4-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]o...) Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CCC#N)CC1 Show InChI InChI=1S/C23H25N5O3/c1-3-16-14-17(30-2)15-19-20(16)23(29)31-22(26-19)18-6-4-8-25-21(18)28-12-10-27(11-13-28)9-5-7-24/h4,6,8,14-15H,3,5,9-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc Curated by ChEMBL					Assay Description Inhibition of human sputum neutrophil elastase by fluorescence based assay				Bioorg Med Chem Lett 19: 4743-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.053 BindingDB Entry DOI: 10.7270/Q2M32VT3
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