Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291944'
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291944((S)-2-(2,2-Dimethyl-propionyl)-3-(6-hydroxy-2-meth...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O
Show InChI InChI=1S/C17H22N4O7S2/c1-17(2,3)11(22)9-8(6-29-16-18-12(23)13(24)19-20(16)4)7-30(26,27)15-10(28-5)14(25)21(9)15/h10,15H,6-7H2,1-5H3,(H,19,24)/t10-,15?/m0/s1
Affinity DataKoff:  4.5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair