Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005166'   

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))	BDBM50005166 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H32ClF3N4O7S/c1-15(2)22(24(38)28(30,31)32)33-21(37)14-36(5)27(41)23(16(3)4)34-25(39)17-6-8-18(9-7-17)26(40)35-44(42,43)20-12-10-19(29)11-13-20/h6-13,15-16,22-23H,14H2,1-5H3,(H,33,37)(H,34,39)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	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
					More data for this Ligand-Target Pair