BDBM50122899 (2R,5S,8S,11S,14S,17S)-17-acetamido-11-benzhydryl-8,14-bis(2-carboxyethyl)-5-(cyclohexylmethyl)-1-(2,3-dihydro-1H-inden-2-ylamino)-2-(mercaptomethyl)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid::4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1-{2-cyclohexyl-1-[1-(indan-2-ylcarbamoyl)-2-mercapto-ethylcarbamoyl]-ethylcarbamoyl}-3-methoxycarbonyl-propylcarbamoyl)-2,2-diphenyl-ethylcarbamoyl]-butyric acid::CHEMBL265298

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)NC1Cc2ccccc2C1

InChI Key InChIKey=LQNYMEUBMGCKCU-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50122899   

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

Curated by ChEMBL
LigandPNGBDBM50122899(4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...)
Affinity DataIC50: 1.70E+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