Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291920'
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291920(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-(3-oxo-but...)
Show SMILES CC(=O)CCC1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C13H16ClNO6S/c1-7(16)3-4-10-9(5-21-8(2)17)6-22(19,20)13-11(14)12(18)15(10)13/h11,13H,3-6H2,1-2H3/t11-,13?/m0/s1
Affinity DataKoff:  2.10s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair