BDBM3879 (2S)-2-{[(2S)-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 20::CHEMBL72695

SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=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)C(O)=O

InChI Key InChIKey=NELACTXYCHECFZ-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 3879   

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

LigandPNGBDBM3879((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-ac...)
Affinity DataIC50: 1.50E+5nMpH: 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
LigandPNGBDBM3879((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-ac...)
Affinity DataIC50: 1.50E+5nMAssay 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
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM3879((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-ac...)
Affinity DataIC50: 1.50E+5nMAssay Description:Inhibition of HCV NS4A-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed