Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50015939'   

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))	BDBM50015939 (7-Methoxy-3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfan...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1nnc(C)s1)CS2(=O)=O |t:15| Show InChI InChI=1S/C16H21N3O6S3/c1-8-17-18-15(27-8)26-6-9-7-28(22,23)13-11(24-5)12(20)19(13)10(9)14(21)25-16(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13?/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	2.23E+3	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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