Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232317'   

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))	BDBM232317 (US9346794, 21A | US9346794, 21B) Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C27H25F3N4O3S/c1-3-38(37,33-16-31)22-11-7-18(8-12-22)14-32-26(36)23-15-34(21-9-10-21)17(2)24(25(23)35)19-5-4-6-20(13-19)27(28,29)30/h4-8,11-13,15,21H,3,9-10,14H2,1-2H3,(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	2.10	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
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM232317 (US9346794, 21A | US9346794, 21B) Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C27H25F3N4O3S/c1-3-38(37,33-16-31)22-11-7-18(8-12-22)14-32-26(36)23-15-34(21-9-10-21)17(2)24(25(23)35)19-5-4-6-20(13-19)27(28,29)30/h4-8,11-13,15,21H,3,9-10,14H2,1-2H3,(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	5.20	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
					More data for this Ligand-Target Pair