BDBM50071973 (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-2-methyl-1-{(S)-2-methyl-1-[2-((S)-3,3,4,4,4-pentafluoro-2-oxo-1-propyl-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propylcarbamoyl}-butyl)-succinamic acid::CHEMBL2370192

SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key InChIKey=VQXZIABBULCVKP-UHFFFAOYSA-N

Data  4 IC50

  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 = 50071973   

TargetCathepsin B(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071973((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Affinity DataIC50: 4.16E+5nMAssay Description:Compound was tested for inhibition of human liver Cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed