BDBM3880 (2S)-2-{[(2S,4R)-4-(benzyloxy)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-acetamido-3-formamidopropanoic acid]-3-formamidopropanoic acid]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}pentanoic acid::Azapeptide-based compound 21::CHEMBL265531

SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=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)OCc1ccccc1)C(O)=O

InChI Key InChIKey=BJZUJRBREKDMAU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 3880   

TargetGenome polyprotein [1027-1206,R1052K]/[1678-1691](Hepacivirus C)
Boehringer Ingelheim (Canada)

LigandPNGBDBM3880(CHEMBL265531 | (2S)-2-{[(2S,4R)-4-(benzyloxy)-1-[(...)
Affinity DataIC50: 7.00E+3nMpH: 7.5 T: 2°CAssay Description:The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2005
Entry Details Article
PubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM3880(CHEMBL265531 | (2S)-2-{[(2S,4R)-4-(benzyloxy)-1-[(...)
Affinity DataIC50: 7.00E+3nMAssay Description:Compound was evaluated for its binding affinity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed