Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50037115'   

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))	BDBM50037115 (2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(C)=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037115 (2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(C)=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.127849 BindingDB Entry DOI: 10.7270/Q2F47T69
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037115 (2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...) Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(C)=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.80E+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