Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50036119'   

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))	BDBM50036119 (CHEMBL11144 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...) Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccncc2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H23F4N5O5/c1-14(2)20(21(36)25(27,28)29)33-19(35)12-34-22(16-3-5-17(26)6-4-16)31-11-18(23(34)37)32-24(38)39-13-15-7-9-30-10-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA				J Med Chem 38: 98-108 (1995) BindingDB Entry DOI: 10.7270/Q2JW8CX7
					More data for this Ligand-Target Pair