Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50037112'   

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))	BDBM50037112 (2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...) Show SMILES CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.				J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037112 (2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...) Show SMILES CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A Business Unit of ZENECA Inc. Curated by ChEMBL					Assay Description The compound was tested in vitro for ability to inhibit human leukocyte elastase activity				J Med Chem 37: 3090-9 (1994) BindingDB Entry DOI: 10.7270/Q2Z0375K
					More data for this Ligand-Target Pair