Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM211458'   

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))	BDBM211458 (US9290457, Example 1) Show SMILES CN1C(C(C(C)=O)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N |t:6| Show InChI InChI=1S/C23H19F3N4O3/c1-12-19(13(2)31)20(17-8-7-14(11-27)9-18(17)21(28)32)29(3)22(33)30(12)16-6-4-5-15(10-16)23(24,25)26/h4-10,20H,1-3H3,(H2,28,32)	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 Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290457 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G4W
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