BDBM50326216 (3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)-5-oxo-9-(2-phenylacetamido)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL1241426

SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)Cc1ccccc1

InChI Key InChIKey=BOOCCBUATVVXCL-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 4 hits for monomerid = 50326216   

TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326216((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Affinity DataIC50: 2.60nMAssay 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 Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326216((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Affinity DataIC50: 5.30nMAssay 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 Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326216((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Affinity DataKi:  36nMAssay 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 Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326216((3S,6S,9R,10aR)-6-((S)-2-(Methylamino)propanamido)...)
Affinity DataIC50: 125nMAssay 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 Depth
Date in BDB:
6/11/2011
Entry Details Article
PubMed