Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232326'   

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))	BDBM232326 (US9346794, 30 | US9346794, 30A | US9346794, 30B) Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)	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))	BDBM232326 (US9346794, 30 | US9346794, 30A | US9346794, 30B) Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)	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))	BDBM232326 (US9346794, 30 | US9346794, 30A | US9346794, 30B) Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)	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
					More data for this Ligand-Target Pair