BDBM50071981 (2S,3S)-2-{[1-((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoic acid::CHEMBL2370177

SMILES CC[C@H](C)[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)=O

InChI Key InChIKey=PQACVDWPJNGGJH-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50071981   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071981((2S,3S)-2-{[1-((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-Acet...)
Affinity DataIC50: 7.80E+5nMAssay Description:Inhibition of hepatitis C virus (HCV) NS3 protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed