Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50039638'   

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))	BDBM50039638 (2,6-Dimethoxy-benzoic acid 1,1,3-trioxo-1,3-dihydr...) Show SMILES COc1cccc(OC)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C17H15NO7S/c1-23-12-7-5-8-13(24-2)15(12)17(20)25-10-18-16(19)11-6-3-4-9-14(11)26(18,21)22/h3-9H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceutical Research Division Curated by ChEMBL					Assay Description In vitro inhibition constant of human leukocyte elastase.				J Med Chem 37: 2623-6 (1994) BindingDB Entry DOI: 10.7270/Q2ST7QGN
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