BDBM13204 (3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 6::Smac AVPI Mimetic 10a

SMILES CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1

InChI Key InChIKey=GKPMRGORHINVPF-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13204   

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

LigandPNGBDBM13204(JMC517169 Compound 6 | (3S,6S,8aS)-6-[(2S)-2-amino...)
Affinity DataKi:  1.41E+3nM ΔG°:  -7.90kcal/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
TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
University of Michigan

LigandPNGBDBM13204(JMC517169 Compound 6 | (3S,6S,8aS)-6-[(2S)-2-amino...)
Affinity DataKi:  1.41E+3nM ΔG°:  -7.90kcal/molepH: 7.5 T: 2°CAssay Description:A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/20/2007
Entry Details Article
PubMed