BDBM9924 (2S)-2-(2-{3-[(2S)-2-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetamido]-3-(1,3-dithian-2-yl)propanamido]-2-oxohexanamido}acetamido)-2-phenylacetic acid::P2 side-chain modified alpha-ketoamide inhibitor 16

SMILES CCCC(NC(=O)[C@H](CC1SCCCS1)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=CIMKRSGIQKYMHI-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 = 9924   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM9924((2S)-2-(2-{3-[(2S)-2-[(2S)-2-cyclohexyl-2-{[(2-met...)
Affinity DataKi:  250nM ΔG°:  -9.15kcal/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