BDBM9744 2-oxoimidazolidine-4-carboxylic acid deriv. 14c::tert-butyl (4S)-4-{[(1S)-4-(tert-butoxy)-1-{[(1S)-1-{[(2S)-1-[(5S)-3-[(3,4-dichlorophenyl)methyl]-2-oxo-5-[(1-oxo-1-{[2-oxo-2-(prop-2-en-1-yloxy)ethyl]carbamoyl}pentan-2-yl)carbamoyl]imidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-4-oxobutyl]carbamoyl}-4-acetamidobutanoate

SMILES CCCC(NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OCC=C

InChI Key InChIKey=VDIONBOINPTGEI-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 = 9744   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9744(tert-butyl (4S)-4-{[(1S)-4-(tert-butoxy)-1-{[(1S)-...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.54kcal/molepH: 6.5 T: 2°CAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2006
Entry Details Article
PubMed