Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50098829'   

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))	BDBM50098829 (CHEMBL23643 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazole...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(O)c([nH]c1=O)C(C)C)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C19H29N5O5/c1-9(2)12(14(26)15-22-23-17(29-15)19(5,6)7)20-11(25)8-24-16(27)13(10(3)4)21-18(24)28/h9-10,12,27H,8H2,1-7H3,(H,20,25)(H,21,28)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	836	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
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