Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005144'   

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))	BDBM50005144 ((2-Methyl-1-{methyl-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H30F3N3O5/c1-13(2)17(19(30)22(23,24)25)26-16(29)11-28(5)20(31)18(14(3)4)27-21(32)33-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,26,29)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
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