Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50303363'   

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))	BDBM50303363 (2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1 Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50303363 (2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...) Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1 Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a
University of Lisbon Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 20 mins				J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D
					More data for this Ligand-Target Pair