Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM23728'   

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))	BDBM23728 (2-(2-methoxyphenoxy)-N'-(thiophen-2-ylcarbonyl)ace...) Show SMILES COc1ccccc1OCC(=O)NNC(=O)c1cccs1 Show InChI InChI=1S/C14H14N2O4S/c1-19-10-5-2-3-6-11(10)20-9-13(17)15-16-14(18)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	820	-34.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Montana State University					Assay Description HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...				J Med Chem 50: 4928-38 (2007) Article DOI: 10.1021/jm070600+ BindingDB Entry DOI: 10.7270/Q2ST7N5S
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