BDBM27051 Macrocyclic Peptidomimetic, 19::tert-butyl N-[(3S,14S,17S,18R,20S)-19,19-dimethyl-2,8,16-trioxo-14-[(prop-2-en-1-ylcarbamoyl)carbonyl]-7-oxa-1,9,15-triazatricyclo[15.4.0.0^{18,20}]henicosan-3-yl]carbamate

SMILES CC(C)(C)OC(=O)N[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C

InChI Key InChIKey=WIPUVGVYMJVDAP-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 = 27051   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27051(tert-butyl N-[(3S,14S,17S,18R,20S)-19,19-dimethyl-...)
Affinity DataKi:  660nM ΔG°:  -8.57kcal/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:
2/20/2009
Entry Details Article
PubMed