Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232305'   

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))	BDBM232305 (US9346794, 9 | US9346794, 9A | US9346794, 9B) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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))	BDBM232305 (US9346794, 9 | US9346794, 9A | US9346794, 9B) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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))	BDBM232305 (US9346794, 9 | US9346794, 9A | US9346794, 9B) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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