BDBM50143462 2-((S)-3-{[(4S,5S)-3-Ethyl-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidine-2-carbonyl]-amino}-2-oxo-hexanoylamino)-3-phenyl-propionic acid::CHEMBL176172

SMILES CCC[C@H](NC(=O)[C@@H]1[C@@H](CC)CCN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=OFCKEZCPNOZAFK-OEMKRMTGSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50143462   

TargetGenome polyprotein/Non-structural protein 4A(Hepatitis C virus)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143462(2-((S)-3-{[(4S,5S)-3-Ethyl-1-((R)-3-methyl-2-{(R)-...)
Affinity DataKi:  220nMAssay Description:Inhibitory activity against hepatitis C virus NS3.4A proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed