BDBM50326212 (3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino)-propanamido)-5-oxo-9-(2-phenylacetamido)decahydropyrrolo-[1,2-a]azocine-3-carboxamide::CHEMBL1241425

SMILES CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1

InChI Key InChIKey=KQTBMWSEIIBSGS-UHFFFAOYSA-N

Data  3 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50326212   

TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataIC50: 196nMAssay 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
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataIC50: 84.1nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataIC50: 1.02E+3nMAssay 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
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataKi:  12.2nMAssay 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
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM50326212((3S,6S,9S,10aR)-N-Benzhydryl-6-((S)-2-(methylamino...)
Affinity DataKi:  305nMAssay 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