BDBM13200 (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamide::Smac AVPI

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O

InChI Key InChIKey=JHPFUTHPFNABKY-UHFFFAOYSA-N

Data  5 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 8 hits for monomerid = 13200   

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

Curated by ChEMBL
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataIC50: 999nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs 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
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataIC50: 1.19E+3nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs 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)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataIC50: 1.16E+4nMAssay Description:Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs 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
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataKi:  188nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs 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
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataKi:  328nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs 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 [241-356](Human)
University of Michigan

LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataKi:  580nM ΔG°:  -8.42kcal/molepH: 7.5 T: 2°CAssay Description:A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/20/2007
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
University of Michigan

LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataKi:  580nM ΔG°:  -8.42kcal/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)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM13200((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Affinity DataKi:  3.54E+3nMAssay Description:Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed