Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232302'   

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))	BDBM232302 (US9346794, 6) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C27H25F3N4O3S/c1-17-24(19-5-3-6-20(13-19)27(28,29)30)25(35)23(15-34(17)21-7-4-8-21)26(36)32-14-18-9-11-22(12-10-18)38(2,37)33-16-31/h3,5-6,9-13,15,21H,4,7-8,14H2,1-2H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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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