Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291918'
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291918(2alpha-(benzoyloxy)3-[(benzoyloxy)methyl]-4-(tert-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C27H27NO9S/c1-27(2,3)21(29)19-18(15-36-24(31)16-11-7-5-8-12-16)26(37-25(32)17-13-9-6-10-14-17)38(33,34)23-20(35-4)22(30)28(19)23/h5-14,20,23,26H,15H2,1-4H3/t20-,23?,26-/m0/s1
Affinity DataKoff:  1.60s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair