Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232361'   

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))	BDBM232361 (US9346794, 67) Show SMILES CN=S(C)(=O)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C26H28F3N3O3S/c1-16(2)32-15-22(25(34)31-14-18-9-11-21(12-10-18)36(5,35)30-4)24(33)23(17(32)3)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,14H2,1-5H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.3	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...				US Patent US9346794 (2016) BindingDB Entry DOI: 10.7270/Q2X63KSJ
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