BDBM50441803 CHEMBL2436228::US10053431, 1

SMILES CN[C@@H](C)C(=O)N[C@H]1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O

InChI Key InChIKey=PVVQVXNDKFTIGZ-KKSFZXQISA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50441803   

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

Curated by ChEMBL
LigandPNGBDBM50441803(CHEMBL2436228 | US10053431, 1)
Affinity DataIC50: >5.48E+4nMAssay Description:Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441803(CHEMBL2436228 | US10053431, 1)
Affinity DataIC50: >5.48E+4nMpH: 7.5 T: 25°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetE3 ubiquitin-protein ligase XIAP [124-240](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441803(CHEMBL2436228 | US10053431, 1)
Affinity DataIC50:  4.39E+3nMpH: 7.5 T: 25°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In DepthDetails US Patent


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

Curated by ChEMBL
LigandPNGBDBM50441803(CHEMBL2436228 | US10053431, 1)
Affinity DataIC50:  4.39E+3nMAssay Description:Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed