Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM230380'   

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))	BDBM230380 (US9340507, 36) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O4S/c1-15(2)31-14-22(25(33)30-13-19-9-10-21(11-16(19)3)36(5,34)35)24(32)23(17(31)4)18-7-6-8-20(12-18)26(27,28)29/h6-12,14-15H,13H2,1-5H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
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