BDBM50441827 CHEMBL2436217::US9422331, 11

SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O

InChI Key InChIKey=PXWZNFSPEPDNTD-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50441827   

TargetE3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441827(CHEMBL2436217 | US9422331, 11)
Affinity DataIC50: 9nMpH: 7.5 T: 2°CAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50441827(CHEMBL2436217 | US9422331, 11)
Affinity DataIC50: 2.49E+4nMpH: 7.5 T: 2°CAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2017
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50441827(CHEMBL2436217 | US9422331, 11)
Affinity DataIC50: 9nMAssay 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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441827(CHEMBL2436217 | US9422331, 11)
Affinity DataIC50: 2.49E+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 Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed