BDBM50143465 2-((S)-3-{[(4S,5S)-1-((R)-3-Methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-3-propyl-pyrrolidine-2-carbonyl]-amino}-2-oxo-hexanoylamino)-3-phenyl-propionic acid::CHEMBL353315

SMILES CCC[C@H](NC(=O)[C@@H]1[C@@H](CCC)CCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=YAJCEHYUNAGVAM-UHFFFAOYSA-N

Data  1 KI

  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 = 50143465   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143465(2-((S)-3-{[(4S,5S)-1-((R)-3-Methyl-2-{(R)-3-methyl...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibitory activity against hepatitis C virus NS3.4A proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed