BDBM26203 (3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 3a::Smac005

SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1

InChI Key InChIKey=WXYVFFGXHFXTLU-UHFFFAOYSA-N

Data  1 KI  3 IC50

  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 3 hits for monomerid = 26203   

TargetBaculoviral IAP repeat-containing protein 3(Human)
Universita Degli Studi Di Milano

LigandPNGBDBM26203(BMC175834 Compound 3a | (3S,6S,7S,9aS)-6-[(2S)-2-a...)
Affinity DataIC50: 270nMpH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2009
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Universita Degli Studi Di Milano

LigandPNGBDBM26203(BMC175834 Compound 3a | (3S,6S,7S,9aS)-6-[(2S)-2-a...)
Affinity DataIC50: 290nMAssay Description:Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2009
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
University of Milano

LigandPNGBDBM26203(BMC175834 Compound 3a | (3S,6S,7S,9aS)-6-[(2S)-2-a...)
Affinity DataKi:  250nM ΔG°:  -8.91kcal/mole IC50: 270nMpH: 7.5 T: 2°CAssay Description:Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/3/2009
Entry Details Article
PubMed