BDBM50441343 CHEMBL2431764::US9611224, Example 61

SMILES CCN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O

InChI Key InChIKey=CSOXYPGEJYPUTB-SBUREZEXSA-N

Data  4 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 4 hits for monomerid = 50441343   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441343(CHEMBL2431764 | US9611224, Example 61)
Affinity DataIC50: >5.40E+4nMAssay Description:Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441343(CHEMBL2431764 | US9611224, Example 61)
Affinity DataIC50: >5.48E+4nMAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441343(CHEMBL2431764 | US9611224, Example 61)
Affinity DataIC50:  81nMAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441343(CHEMBL2431764 | US9611224, Example 61)
Affinity DataIC50:  81nMAssay Description:Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed