BDBM50441806 CHEMBL2436226::US9422331, 32
SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N
InChI Key InChIKey=STBLNCCBQMHSRC-BATDWUPUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 11 hits for monomerid = 50441806
Affinity DataKi: 1.70E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 2.89E+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
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataEC50: 262nMAssay Description:Inhibition of GST-tagged full length XIAP BIR2 domain-mediated caspase 3/7 cleavage in human HeLa S3 cell lysates assessed as cleavage of Ac-DEVD-AFC...More data for this Ligand-Target Pair
Affinity DataIC50: 3.08E+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
Affinity DataIC50: 45nMAssay Description:Inhibition of XIAP-BIR2 domain (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of XIAP-BIR3 domain (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase XIAP [124-214,C202A,C213G](Artificial Organism)
Hoffmann-La Roche
US Patent
Hoffmann-La Roche
US Patent
Affinity DataIC50: 46nMpH: 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
Affinity DataIC50: 45nMAssay 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