null

SMILES CN[C@@H](C)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](C)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1

InChI Key InChIKey=LGYDZXNSSLRFJS-IOQQVAQYSA-N

  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 20 hits for monomerid = 50343522   

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

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  0.5nMAssay Description:Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  1.5nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  45nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataKi:  45nMAssay Description:Binding affinity to BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 7.5nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 8.5nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 153nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 5.70nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 4.60nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2RJ4JSDPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 153nMAssay Description:Binding affinity to BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 7.5nMAssay Description:Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataEC50:  15nMAssay Description:Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataEC50:  500nMAssay Description:Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins me...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 41.2nMAssay Description:Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P84D2ZPubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 4.60nMAssay Description:Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50343522((S,3S,3'S,6S,6'S,10aS,10a'S)-N,N'-((1S,1'S)-(1,1'-...)copy SMILEScopy InChI
Affinity DataIC50: 8.5nMAssay Description:Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2Q3BPubMed