BDBM50141198 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-5-((R)-1-benzylaminooxalyl-butylcarbamoyl)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidin-3-yl ester::CHEMBL33248

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)NCc1ccccc1

InChI Key InChIKey=UOUIQOBHGHJVGY-UHFFFAOYSA-N

Data  1 KI  1 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 = 50141198   

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

Curated by ChEMBL
LigandPNGBDBM50141198(3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-...)
Affinity DataIC50: 220nMAssay Description:Binding inhibition of hepatitis C virus NS3.4A protease 2 using a reverse phase HPLC based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50141198(3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-...)
Affinity DataKi: <200nMAssay Description:Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.15)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed