Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291923'
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291923((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(1-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H23N9O5S3/c1-17(2,3)11(27)9-8(7-32-15-18-20-22-24(15)4)14(33-16-19-21-23-25(16)5)34(29,30)13-10(31-6)12(28)26(9)13/h10,13-14H,7H2,1-6H3/t10-,13?,14-/m0/s1
Affinity DataKoff:  2.60s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair