Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50015883'   

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))	BDBM50015883 (3-Acetoxymethyl-7-ethoxy-5,5,8-trioxo-5lambda*6*-t...) Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:16| Show InChI InChI=1S/C16H23NO8S/c1-6-23-12-13(19)17-11(15(20)25-16(3,4)5)10(7-24-9(2)18)8-26(21,22)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
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