Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50406244'   

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))	BDBM50406244 (CHEMBL444082) Show SMILES Cc1cccc2nc(NCC(C)(C)C)oc(=O)c12 Show InChI InChI=1S/C14H18N2O2/c1-9-6-5-7-10-11(9)12(17)18-13(16-10)15-8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	0.0000182	75.9	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Component deacylation rate constant for interaction with human leukocyte elastase				J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X
					More data for this Ligand-Target Pair