Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50098835'   

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))	BDBM50098835 (CHEMBL284205 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazol...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc(n1)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C24H28N4O4/c1-15(2)20(21(30)22-27-28-23(32-22)24(3,4)5)26-18(29)14-31-19-13-9-12-17(25-19)16-10-7-6-8-11-16/h6-13,15,20H,14H2,1-5H3,(H,26,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.28E+3	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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