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Assay Detail

CHEMBL5586702

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

Binding
Inhibition of IP6K1 (unknown origin) using IP6 as substrate incubated for 30 mins in presence of ATP by ADPGlo enzymatic assay
68
Total Activities
68
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Inositol hexakisphosphate kinase 1 (CHEMBL4523418)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification and Characterization of a Blood-Brain Barrier Penetrant Inositol Hexakisphosphate Kinase (IP6K) Inhibitor.
Heitmann T, Liao G, Ernst G, Poslusney M, van Kralingen T, Li Y, Masi M, DePasquale M, Buchler I, Wei H, Carr GV, Shlevkov E, Lu M, Jessen H, Barrow JC.
J Med Chem (2024) 67 : 13639 -13665
PubMed 39096294 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 68 6.81 8.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5598155 1 8.77
CHEMBL5598038 1 8.60
CHEMBL5190343 1 8.54
CHEMBL5596194 1 8.49
CHEMBL5590726 1 8.44
CHEMBL5598068 1 8.19
CHEMBL5598514 1 8.16
CHEMBL5597913 1 8.10
CHEMBL5596094 1 8.10
CHEMBL5598435 1 8.03
CHEMBL5597090 1 7.80
CHEMBL5590042 1 7.80
CHEMBL5598271 1 7.57
CHEMBL5596469 1 7.55
CHEMBL5597088 1 7.55
CHEMBL5596929 1 7.52
CHEMBL5597637 1 7.51
CHEMBL5596184 1 7.46
CHEMBL5596237 1 7.44
CHEMBL5596303 1 7.41
CHEMBL5597391 1 7.37
CHEMBL5598451 1 7.18
CHEMBL5596764 1 7.17
CHEMBL5596099 1 7.11
CHEMBL5596496 1 7.11
CHEMBL5596638 1 7.08
CHEMBL5598241 1 7.05
CHEMBL5597127 1 6.96
CHEMBL5597596 1 6.89
CHEMBL5596161 1 6.85

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5598155 IC50 = 1.7 nM 8.77
CHEMBL5598038 IC50 = 2.5 nM 8.60
CHEMBL5190343 IC50 = 2.9 nM 8.54
CHEMBL5596194 IC50 = 3.2 nM 8.49
CHEMBL5590726 IC50 = 3.6 nM 8.44
CHEMBL5598068 IC50 = 6.5 nM 8.19
CHEMBL5598514 IC50 = 6.9 nM 8.16
CHEMBL5597913 IC50 = 7.9 nM 8.10
CHEMBL5596094 IC50 = 8.0 nM 8.10
CHEMBL5598435 IC50 = 9.3 nM 8.03
CHEMBL5597090 IC50 = 16.0 nM 7.80
CHEMBL5590042 IC50 = 16.0 nM 7.80
CHEMBL5598271 IC50 = 27.0 nM 7.57
CHEMBL5597088 IC50 = 28.0 nM 7.55
CHEMBL5596469 IC50 = 28.0 nM 7.55
CHEMBL5596929 IC50 = 30.0 nM 7.52
CHEMBL5597637 IC50 = 31.0 nM 7.51
CHEMBL5596184 IC50 = 35.0 nM 7.46
CHEMBL5596237 IC50 = 36.0 nM 7.44
CHEMBL5596303 IC50 = 39.0 nM 7.41
CHEMBL5597391 IC50 = 43.0 nM 7.37
CHEMBL5598451 IC50 = 66.0 nM 7.18
CHEMBL5596764 IC50 = 68.0 nM 7.17
CHEMBL5596099 IC50 = 77.0 nM 7.11
CHEMBL5596496 IC50 = 78.0 nM 7.11
CHEMBL5596638 IC50 = 83.0 nM 7.08
CHEMBL5598241 IC50 = 90.0 nM 7.05
CHEMBL5597127 IC50 = 110.0 nM 6.96
CHEMBL5597596 IC50 = 130.0 nM 6.89
CHEMBL5596161 IC50 = 140.0 nM 6.85
CHEMBL5596437 IC50 = 140.0 nM 6.85
CHEMBL5597163 IC50 = 150.0 nM 6.82
CHEMBL5596409 IC50 = 160.0 nM 6.80
CHEMBL5596215 IC50 = 160.0 nM 6.80
CHEMBL5597747 IC50 = 160.0 nM 6.80
CHEMBL5598518 IC50 = 180.0 nM 6.75
CHEMBL5597372 IC50 = 190.0 nM 6.72
CHEMBL5597385 IC50 = 210.0 nM 6.68
CHEMBL5597655 IC50 = 230.0 nM 6.64
CHEMBL5597126 IC50 = 270.0 nM 6.57
CHEMBL5597196 IC50 = 280.0 nM 6.55
CHEMBL5597108 IC50 = 280.0 nM 6.55
CHEMBL5596117 IC50 = 290.0 nM 6.54
CHEMBL5597161 IC50 = 300.0 nM 6.52
CHEMBL5596265 IC50 = 340.0 nM 6.47
CHEMBL5597780 IC50 = 440.0 nM 6.36
CHEMBL5597428 IC50 = 450.0 nM 6.35
CHEMBL5597232 IC50 = 500.0 nM 6.30
CHEMBL5598366 IC50 = 610.0 nM 6.21
CHEMBL5597177 IC50 = 790.0 nM 6.10