Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM230389'   

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))	BDBM230389 (US9340507, 45) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1CCF)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H22F4N2O4S/c1-15-21(17-4-3-5-18(12-17)24(26,27)28)22(31)20(14-30(15)11-10-25)23(32)29-13-16-6-8-19(9-7-16)35(2,33)34/h3-9,12,14H,10-11,13H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	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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