BDBM50122898 (6R,9S,12S,15S,18S,21S)-21-acetamido-15-benzhydryl-12,18-bis(2-carboxyethyl)-9-(cyclohexylmethyl)-6-(mercaptomethyl)-5,8,11,14,17,20-hexaoxo-1-phenyl-4,7,10,13,16,19-hexaazatricosan-23-oic acid::4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1-{2-cyclohexyl-1-[2-mercapto-1-(3-phenyl-propylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-3-methoxycarbonyl-propylcarbamoyl)-2,2-diphenyl-ethylcarbamoyl]-butyric acid::CHEMBL214100

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)NCCCc1ccccc1

InChI Key InChIKey=RBSBNDWTINCGLA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122898   

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

Curated by ChEMBL
LigandPNGBDBM50122898(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...)
Affinity DataIC50: 210nMAssay 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