BDBM50141220 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-5-[(R)-1-(furan-2-ylmethyl)-aminooxalyl]-butylcarbamoyl)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidin-3-yl ester::CHEMBL32406

SMILES CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)N1CCc2ccccc2C1)C(=O)C(=O)NCc1ccco1

InChI Key InChIKey=JLIWCGBRMZYUBO-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50141220   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50141220(3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-...)
Affinity DataKi:  4.72E+3nMAssay Description:Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed