BDBM26223 (3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL481213::bicyclic Smac peptide mimetic, 25

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

InChI Key InChIKey=IPIIAWQBJWTGKF-WVNMJAPOSA-N

Data  4 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 4 hits for monomerid = 26223   

TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM26223((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Affinity DataKi:  0.680nMAssay Description:Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM26223((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Affinity DataKi:  1nMAssay Description:Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polari...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
University Of Michigan

LigandPNGBDBM26223((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Affinity DataKi:  14nM 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 DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM26223((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Affinity DataKi:  14nMAssay Description:Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polariz...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed