Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232349'   

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))	BDBM232349 (US9346794, 55) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C28H27F3N4O4S/c1-18-25(20-5-3-6-21(13-20)28(29,30)31)26(36)24(15-35(18)22-7-4-12-39-16-22)27(37)33-14-19-8-10-23(11-9-19)40(2,38)34-17-32/h3,5-6,8-11,13,15,22H,4,7,12,14,16H2,1-2H3,(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	1.80	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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