BDBM50058341 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE::CHEMBL56852::N-[4-(morpholin-4-ylcarbonyl)benzoyl]-L-valyl-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]-L-prolinamide::N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide

SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key InChIKey=XQAMVCHQGHAELT-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058341   

TargetNeutrophil elastase(Human)
Zeneca Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50058341(N-[4-(morpholin-4-ylcarbonyl)benzoyl]-L-valyl-N-[(...)
Affinity DataKi:  25nMAssay Description:Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMed