Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50063051'   

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))	BDBM50063051 (CHEMBL3398144) Show SMILES CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
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