Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM105225'
TargetNeutrophil elastase(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM105225(US8580800, 1)
Show SMILES CN1CC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1
Show InChI InChI=1S/C21H16F3N5O2/c1-28-11-16-17(19(30)27-28)18(13-7-5-12(10-25)6-8-13)26-20(31)29(16)15-4-2-3-14(9-15)21(22,23)24/h2-9,18H,11H2,1H3,(H,26,31)(H,27,30)/t18-/m1/s1
Affinity DataIC50: 28nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair