BDBM50070813 (S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)-N-((S)-1-{(S)-1-[(S)-2-((R)-1-carboxy-2-mercapto-ethylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-ethyl)-succinamic acid::CHEMBL298641

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

InChI Key InChIKey=AKXZGWWQSKVCOP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070813   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50070813((S)-3-((S)-2-Acetylamino-3-carboxy-propionylamino)...)
Affinity DataIC50: 5.80E+5nMAssay Description:Inhibitory activity against NS3-4A pep proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed