BDBM26208 (2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::Smac mimetic, 7

SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12

InChI Key InChIKey=YKDUDNBQXZHFLC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 26208   

TargetBaculoviral IAP repeat-containing protein 2 [253-363](Human)
Shanghai Institute of Organic Chemistry

LigandPNGBDBM26208((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...)
Affinity DataKi:  150nM ΔG°:  -9.21kcal/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
TargetBaculoviral IAP repeat-containing protein 3 [238-349](Human)
Shanghai Institute of Organic Chemistry

LigandPNGBDBM26208((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...)
Affinity DataKi:  370nM ΔG°:  -8.68kcal/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)
Shanghai Institute of Organic Chemistry

LigandPNGBDBM26208((2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-o...)
Affinity DataKi:  1.20E+3nM ΔG°:  -7.99kcal/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