BDBM50343514 (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-acetamido-3-(1H-indol-3-yl)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide)::CHEMBL1774155

SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](Cc5c[nH]c6ccccc56)NC(C)=O)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1

InChI Key InChIKey=KCRWCGKTNLNFIB-UHFFFAOYSA-N

Data  5 KI  5 IC50

  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 10 hits for monomerid = 50343514   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi: >3.00E+3nMAssay 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 2(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi: >9.00E+3nMAssay Description:Binding affinity to human cIAP1 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 2(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 1.00E+4nMAssay 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 3(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi: >1.00E+4nMAssay 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)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi: >1.00E+4nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi: >1.00E+4nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 5.00E+4nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 5.00E+4nMAssay 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
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 5.00E+4nMAssay 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)
University of Michigan

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50343514BDBM50343514((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50: 5.00E+4nMAssay 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