Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50058347'   

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))	BDBM50058347 (CHEMBL56713 | N-{(S)-2-Methyl-1-[2-(3,3,3-trifluor...) Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O6/c1-13(2)18(20(32)25(26,27)28)29-22(34)17-7-6-12-31(17)23(35)19(14(3)4)30-21(33)15-8-10-16(11-9-15)24(36)37-5/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,29,34)(H,30,33)/t17?,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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
					More data for this Ligand-Target Pair