Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50281013'   

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))	BDBM50281013 ((R)-3-Benzyl-6-isopropyl-7-oxo-4-thia-1-aza-bicycl...) Show SMILES CC(C)C1[C@H]2SC(Cc3ccccc3)=C(N2C1=O)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C23H23NO3S/c1-15(2)19-21(25)24-20(23(26)27-14-17-11-7-4-8-12-17)18(28-22(19)24)13-16-9-5-3-6-10-16/h3-12,15,19,22H,13-14H2,1-2H3/t19?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human leukocyte elastase				Bioorg Med Chem Lett 3: 2277-2282 (1993) Article DOI: 10.1016/S0960-894X(01)80939-2 BindingDB Entry DOI: 10.7270/Q2WW7HMK
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