BDBM12297 1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-1-(cyclopropylmethyl)-2,3-dioxopropyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-2,2-dimethylpropyl]carbamates::SCH 476776::tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

SMILES CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C

InChI Key InChIKey=YSAPFUUTPOKROX-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 12297   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12297(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Affinity DataKi:  57nMAssay 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:
12/5/2006
Entry Details Article
PubMed
TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12297(1,1-Dimethylethyl-[1(S)-[[(1R,5S)-2(S)-[[[3-amino-...)
Affinity DataKi:  57nM ΔG°:  -10.0kcal/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:
9/18/2007
Entry Details Article
PubMed