Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50037346'   

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))	BDBM50037346 (2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(N)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	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))	BDBM50037346 (2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(N)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair