BDBM242807 US9422331, 29

SMILES CC[C@H](NC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N

InChI Key InChIKey=ZCNDJAKSDWSZNN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 242807   

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

US Patent
LigandPNGBDBM242807(US9422331, 29)
Affinity DataIC50: 23nMpH: 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
LigandPNGBDBM242807(US9422331, 29)
Affinity DataIC50: 1.22E+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