Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM232330'   

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))	BDBM232330 (US9346794, 34) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C27H28F2N4O3S/c1-16(2)33-14-23(25(34)24(18(33)4)19-7-6-8-20(12-19)26(28)29)27(35)31-13-21-9-10-22(11-17(21)3)37(5,36)32-15-30/h6-12,14,16,26H,13H2,1-5H3,(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	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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