BDBM9930 (2S)-2-(2-{3-[(2S)-3-cyclobutyl-2-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetamido]propanamido]-2-oxohexanamido}acetamido)-2-phenylacetic acid::P2 side-chain modified alpha-ketoamide inhibitor 22

SMILES CCCC(NC(=O)[C@H](CC1CCC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key InChIKey=UWVAIHDUFUEXNR-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 = 9930   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9930((2S)-2-(2-{3-[(2S)-3-cyclobutyl-2-[(2S)-2-cyclohex...)
Affinity DataKi:  140nM ΔG°:  -9.50kcal/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:
6/11/2006
Entry Details Article
PubMed