Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM23707'   

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))	BDBM23707 (1-[(2-fluorophenyl)carbonyl]-5-methyl-3-nitro-1H-p...) Show SMILES Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O Show InChI InChI=1S/C11H8FN3O3/c1-7-6-10(15(17)18)13-14(7)11(16)8-4-2-3-5-9(8)12/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	107	-39.8	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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