BDBM50441338 CHEMBL2431751::US9394263, 2

SMILES C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC

InChI Key InChIKey=PXBQMHIHZVFKSD-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50441338   

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

US Patent
LigandPNGBDBM50441338(CHEMBL2431751 | US9394263, 2)
Affinity DataIC50: 2.26E+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 Depth
Date in BDB:
7/17/2017
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50441338(CHEMBL2431751 | US9394263, 2)
Affinity DataIC50: 2.26E+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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441338(CHEMBL2431751 | US9394263, 2)
Affinity DataIC50: 18nMAssay 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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)