BDBM9705 P3-capped alpha-ketoamide inhibitor 19::methyl (2S,3S)-3-methyl-2-[2-(3-{[(2S)-1-[(2S)-3-methyl-2-{[(2-methylpropoxy)carbonyl]amino}butanoyl]pyrrolidin-2-yl]formamido}-2-oxohexanamido)acetamido]pentanoate

SMILES CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)OC

InChI Key InChIKey=AQTCVTGNLCTTDJ-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 = 9705   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9705(methyl (2S,3S)-3-methyl-2-[2-(3-{[(2S)-1-[(2S)-3-m...)
Affinity DataKi:  1.50E+4nM ΔG°:  -6.69kcal/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