Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50060343'   

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))	BDBM50060343 (3-Acetoxymethyl-7-dichloromethylene-8-oxo-5-thia-1...) Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6](-[#16]-[#6]-1)\[#6](=[#6](/Cl)Cl)-[#6]-2=O)-[#6](=O)-[#8]-[#6](-c1ccccc1)-c1ccccc1 |t:5| Show InChI InChI=1S/C24H19Cl2NO5S/c1-14(28)31-12-17-13-33-23-18(21(25)26)22(29)27(23)19(17)24(30)32-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20,23H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
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