BDBM50071961 (S)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid::CHEMBL1790295

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](C)C(O)=O

InChI Key InChIKey=LQPMTABSGCSJNO-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 = 50071961   

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

Curated by ChEMBL
LigandPNGBDBM50071961(CHEMBL1790295 | (S)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2...)
Affinity DataIC50: 7.10E+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
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50071961(CHEMBL1790295 | (S)-2-{[1-((S)-2-{(2S,3S)-2-[(R)-2...)
Affinity DataIC50: 7.50E+5nMAssay 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