Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM23725'   

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))	BDBM23725 (3,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)carbony...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1nc(C)c(C)c1C Show InChI InChI=1S/C16H20N2O4/c1-9-10(2)17-18(11(9)3)16(19)12-7-13(20-4)15(22-6)14(8-12)21-5/h7-8H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.09E+4	-24.5	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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