BDBM50071974 (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((1S,2S)-1-{(S)-1-[2-((R)-1-carboxy-2-mercapto-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-butyl)-succinamic acid::CHEMBL295605::NS5A-NS5B

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O

InChI Key InChIKey=JXDNUMOTWHZSCB-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 = 50071974   

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

Curated by ChEMBL
LigandPNGBDBM50071974((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Affinity DataIC50: 2.80E+4nMAssay 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