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Assay Detail

CHEMBL4157560

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by immunoprecipitation assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

E3 ubiquitin-protein ligase XIAP (CHEMBL4198)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
Johnson CN, Ahn JS, Buck IM, Chiarparin E, Day JEH, Hopkins A, Howard S, Lewis EJ, Martins V, Millemaggi A, Munck JM, Page LW, Peakman T, Reader M, Rich SJ, Saxty G, Smyth T, Thompson NT, Ward GA, Williams PA, Wilsher NE, Chessari G.
J Med Chem (2018) 61 : 7314 -7329
PubMed 30091600 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 8.04 9.08

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4169478 1 9.08
CHEMBL4166057 1 8.80
CHEMBL4173974 ASTX-660 1.0 1 8.55
CHEMBL4166607 1 8.54
CHEMBL4164271 1 8.46
CHEMBL4171490 1 8.37
CHEMBL4064619 1 8.29
CHEMBL4167141 1 8.27
CHEMBL4159806 1 8.24
CHEMBL4170539 1 8.13
CHEMBL4174922 1 8.12
CHEMBL4160872 1 7.92
CHEMBL4177336 1 7.85
CHEMBL4168197 1 7.85
CHEMBL4172596 1 7.85
CHEMBL4167717 1 7.80
CHEMBL4159232 1 7.77
CHEMBL4173890 1 7.75
CHEMBL4159855 1 7.70
CHEMBL4175992 1 7.52
CHEMBL2431768 LCL-161 2.0 1 7.46
CHEMBL4168144 1 7.33
CHEMBL4162607 1 7.33

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4169478 IC50 = 0.83 nM 9.08
CHEMBL4166057 IC50 = 1.6 nM 8.80
CHEMBL4173974 ASTX-660 IC50 = 2.8 nM 8.55
CHEMBL4166607 IC50 = 2.9 nM 8.54
CHEMBL4164271 IC50 = 3.5 nM 8.46
CHEMBL4171490 IC50 = 4.3 nM 8.37
CHEMBL4064619 IC50 = 5.1 nM 8.29
CHEMBL4167141 IC50 = 5.4 nM 8.27
CHEMBL4159806 IC50 = 5.8 nM 8.24
CHEMBL4170539 IC50 = 7.4 nM 8.13
CHEMBL4174922 IC50 = 7.5 nM 8.12
CHEMBL4160872 IC50 = 12.0 nM 7.92
CHEMBL4177336 IC50 = 14.0 nM 7.85
CHEMBL4168197 IC50 = 14.0 nM 7.85
CHEMBL4172596 IC50 = 14.0 nM 7.85
CHEMBL4167717 IC50 = 16.0 nM 7.80
CHEMBL4159232 IC50 = 17.0 nM 7.77
CHEMBL4173890 IC50 = 18.0 nM 7.75
CHEMBL4159855 IC50 = 20.0 nM 7.70
CHEMBL4175992 IC50 = 30.0 nM 7.52
CHEMBL2431768 LCL-161 IC50 = 35.0 nM 7.46
CHEMBL4168144 IC50 = 47.0 nM 7.33
CHEMBL4162607 IC50 = 47.0 nM 7.33