Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232357'   

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))	BDBM232357 (US9346794, 63) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C2CC2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)35-15-24(26(36)25(18(35)3)20-5-4-6-21(13-20)28(29,30)31)27(37)33-14-19-7-9-22(10-8-19)39(38,34-16-32)23-11-12-23/h4-10,13,15,17,23H,11-12,14H2,1-3H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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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