BDBM50343522 (S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-(4,4'-(1,4-phenylene)bis(butane-4,1-diyl))bis(1H-1,2,3-triazole-4,1-diyl))bis(phenylmethylene))bis(6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide)::CHEMBL1774154

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1

InChI Key InChIKey=LGYDZXNSSLRFJS-UHFFFAOYSA-N

Data  8 KI  10 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50343522   

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

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 8.5nMAssay Description:Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 41.2nMAssay Description:Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 153nMAssay Description:Competitive inhibition of His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 8.5nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 7.5nMAssay Description:Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 5.70nMAssay Description:Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 4.60nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 153nMAssay Description:Binding affinity to BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 7.5nMAssay Description:Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataEC50:  15nMAssay Description:Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataEC50:  500nMAssay Description:Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 4.60nMAssay Description:Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2nMAssay Description:Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2nMAssay Description:Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2nMAssay Description:Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2nMAssay Description:Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  45nMAssay Description:Binding affinity to BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Fondazione Irccs Istituto Nazionale Dei Tumori

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  45nMAssay Description:Binding affinity to His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization-based ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed