BDBM50441807 CHEMBL2436225::US9422331, 31

SMILES CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N

InChI Key InChIKey=HIFDPWOYCPYURM-VFUKXHBFSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50441807   

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

US Patent
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50:  22nMpH: 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 DepthDetails US Patent
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50:  2.32E+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 DepthDetails US Patent
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50:  22nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50:  2.32E+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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441807(CHEMBL2436225 | US9422331, 31)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed