Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50296832'   

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))	BDBM50296832 (2-(2-(4-cyclopentylpiperazin-1-yl)pyridin-3-yl)-5-...) Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C25H30N4O3/c1-3-17-15-19(31-2)16-21-22(17)25(30)32-24(27-21)20-9-6-10-26-23(20)29-13-11-28(12-14-29)18-7-4-5-8-18/h6,9-10,15-16,18H,3-5,7-8,11-14H2,1-2H3	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	34	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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