Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50015932'   

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))	BDBM50015932 (3-Benzenesulfinylmethyl-7-methoxy-5,5,8-trioxo-5la...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CS(=O)c1ccccc1)CS2(=O)=O |t:15| Show InChI InChI=1S/C19H23NO7S2/c1-19(2,3)27-18(22)14-12(10-28(23)13-8-6-5-7-9-13)11-29(24,25)17-15(26-4)16(21)20(14)17/h5-9,15,17H,10-11H2,1-4H3/t15-,17?,28?/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	910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE)				J Med Chem 33: 2529-35 (1990) BindingDB Entry DOI: 10.7270/Q2FQ9VK8
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