Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50037357'   

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))	BDBM50037357 (2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-ph...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)CN2CCOCC2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	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))	BDBM50037357 (2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-ph...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)CN2CCOCC2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	469	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