BDBM50343515 (3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-((1-(4-(4-(4-(4-((S)-((3S,6S,1'aS)-6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamido)(phenyl)methyl)-1H-1,2,3-triazol-1-yl)butyl)-1H-1,2,3-triazol-1-yl)butyl)1H-1,2,3-triazol-4-yl)-(phenyl)methyl)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL1774161

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2cn(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N34)c3ccccc3)nn2)nn1)c1ccccc1

InChI Key InChIKey=CTHPQEVPVOQSRC-KKNCLYKJSA-N

Data  5 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 10 hits for monomerid = 50343515   

TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataKi:  1nMAssay 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 DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataIC50:  6.5nMAssay 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
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataIC50:  6.20nMAssay 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
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataIC50:  161nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50343515((3S,6S,1'aS)-6-((S)-2-(Methylamino)propanamido)-N-...)
Affinity DataIC50:  5.30nMAssay 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