BDBM26218 (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL481422::bicyclic Smac peptide mimetic, 20

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

InChI Key InChIKey=XBTLZUHJBOBKRG-UHFFFAOYSA-N

Data  19 KI  17 IC50  1 Kd

  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 37 hits for monomerid = 26218   

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

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 74.7nMAssay 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
TargetNonstructural protein 3(ZIKV)
Australian National University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 100nMAssay Description:Inhibition of Zika virus NS2B-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKd:  26nMAssay Description:Binding affinity to XIAP-BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 5.60E+3nMAssay Description:Binding affinity to XIAP-BIR2 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 438nMAssay Description:Binding affinity to XIAP-BIR2/BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 438nMAssay Description:Inhibition of of XIAP-BIR2/BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 70nMAssay 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
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 60nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 38nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 1.24E+3nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 819nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 636nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 46.2nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 74.7nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 46.2nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 1.24E+3nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 1.89E+4nMAssay Description:Binding affinity to BIR2 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataIC50: 636nMAssay 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
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  0.800nMAssay 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:
1/11/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  1nMAssay Description:Displacement of fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 8(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  1.80nMAssay Description:Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  1.84nMAssay 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:
1/11/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  6.70nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  6.70nMAssay 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 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  6.80nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  18nMAssay 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
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  18nMAssay 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
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  18.3nMAssay 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
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  18.3nMAssay 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 [241-356](Human)
University of Michigan

LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  26nM ΔG°:  -10.2kcal/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 Depth
Date in BDB:
1/3/2009
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  26nMAssay 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:
1/11/2010
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  191nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  191nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  248nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  408nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  408nMAssay 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)
Ningxia Medical University

Curated by ChEMBL
LigandPNGBDBM26218((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Affinity DataKi:  8.20E+3nMAssay Description:Binding affinity to BIR2 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