Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50453643'   

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))	BDBM50453643 (CHEMBL2371666) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O)C(=O)C(F)(F)F Show InChI InChI=1S/C16H24F3N3O4/c1-8(2)12(13(24)16(17,18)19)21-14(25)11-6-5-7-22(11)15(26)9(3)20-10(4)23/h8-9,11-12H,5-7H2,1-4H3,(H,20,23)(H,21,25)/t9-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P
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