Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50058382'   

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))	BDBM50058382 (1-{(S)-3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C27H32F3N3O4/c1-15(2)21(23(34)27(28,29)30)31-25(36)20-10-7-13-33(20)26(37)22(16(3)4)32-24(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-16,20-22H,7,10,13H2,1-4H3,(H,31,36)(H,32,35)/t20?,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay				J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ
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