BDBM26225 (3S,6S,10aS)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 27

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCc2ccccc12

InChI Key InChIKey=NZBNCCVQVQBULF-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 = 26225   

TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
University of Michigan

LigandPNGBDBM26225((3S,6S,10aS)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-...)
Affinity DataKi:  15nM ΔG°:  -10.6kcal/molepH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/3/2009
Entry Details Article
PubMed