BDBM50096727 (S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-propionylamino]-4-[(S)-1-((S)-2,2-dimethyl-1-{(S)-3-methyl-1-[(R)-3,3,3-trifluoro-1-(3-methoxy-benzylaminooxalyl)-propylcarbamoyl]-butylcarbamoyl}-propylcarbamoyl)-2-o-tolyl-ethylcarbamoyl]-butyricacid::CHEMBL405033

SMILES COc1cccc(CNC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1

InChI Key InChIKey=MJPVAXQMSOFKDD-UHFFFAOYSA-N

Data  1 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 = 50096727   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096727((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...)
Affinity DataIC50: 6nMAssay Description:Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed