Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232312'   

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))	BDBM232312 (US9346794, 16) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H24F3N5O3S/c1-15(2)33-13-21(23(34)22(16(33)3)17-6-5-7-18(10-17)25(26,27)28)24(35)31-11-19-8-9-20(12-30-19)37(4,36)32-14-29/h5-10,12-13,15H,11H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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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