BDBM50343517 (S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-(Oxybis(pentane-5,1-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)::CHEMBL1774163

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCOCCCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N23)c2ccccc2)nn1)c1ccccc1

InChI Key InChIKey=NVBKPFYWVXAYJB-RJLOISGXSA-N

Data  4 KI  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50343517   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  1nMAssay 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 DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2nMAssay 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 DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  2.5nMAssay 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 DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataKi:  63nMAssay 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 DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50:  11nMAssay Description:Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50:  7.40nMAssay Description:Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50:  212nMAssay 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 DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50:  4.90nMAssay Description:Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343517((S,3S,3'S,6S,6'S,1'aS,1'a'S)-N,N'-((1S,1'S)-(1,1'-...)
Affinity DataIC50:  5.40nMAssay 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 DepthDetails ArticlePubMed