Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM189912'   

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))	BDBM189912 (US9174997, 132) Show SMILES CC1=C([N+]#[C-])C(NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N |c:1| Show InChI InChI=1S/C22H17F3N4O4S/c1-13-19(27-2)20(17-7-6-14(12-26)10-18(17)34(32,33)9-8-30)28-21(31)29(13)16-5-3-4-15(11-16)22(23,24)25/h3-7,10-11,20,30H,8-9H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
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