BDBM50122903 (5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl-11,17-bis(2-carboxyethyl)-1-cyclohexyl-8-(cyclohexylmethyl)-5-(mercaptomethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid::4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1-{2-cyclohexyl-1-[1-(2-cyclohexyl-ethylcarbamoyl)-2-mercapto-ethylcarbamoyl]-ethylcarbamoyl}-3-methoxycarbonyl-propylcarbamoyl)-2,2-diphenyl-ethylcarbamoyl]-butyric acid::CHEMBL264008

SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)NCCC1CCCCC1

InChI Key InChIKey=LQAQLNCKFMWKPW-UHFFFAOYSA-N

Data  1 IC50

  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 = 50122903   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Mrl Rome

Curated by ChEMBL
LigandPNGBDBM50122903((5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl...)
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibitory activity against Hepatitis C NS3/NS4A proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed