BDBM50441339 CHEMBL2431750::US9394263, 85

SMILES CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc23)c2ccccc2OC11CCOCC1

InChI Key InChIKey=GKZPMFPKQMBXTM-AVRWGWEMSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50441339   

TargetE3 ubiquitin-protein ligase XIAP [124-240](Artificial Sequence)
F. Hoffmann-La Roche

US Patent
LigandPNGBDBM50441339(CHEMBL2431750 | US9394263, 85)
Affinity DataIC50:  410nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6x 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(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441339(CHEMBL2431750 | US9394263, 85)
Affinity DataIC50:  410nMAssay 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
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441339(CHEMBL2431750 | US9394263, 85)
Affinity DataIC50:  3.62E+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
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
F. Hoffmann-La Roche

US Patent
LigandPNGBDBM50441339(CHEMBL2431750 | US9394263, 85)
Affinity DataIC50:  3.62E+4nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6x 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