Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291942'
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291942(Benzoic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C22H25N5O7S2/c1-22(2,3)16(28)14-13(11-35-21-23-24-25-26(21)4)20(34-19(30)12-9-7-6-8-10-12)36(31,32)18-15(33-5)17(29)27(14)18/h6-10,15,18,20H,11H2,1-5H3/t15-,18?,20-/m0/s1
Affinity DataKoff: >2s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair