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Assay Detail

CHEMBL5166044

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

Binding
Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as substrate in presence of ATP measured after 60 to 120 mins by malachite green based colorimetric - DIPP1 coupled enzyme assay
37
Total Activities
37
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

Development of Novel IP6K Inhibitors for the Treatment of Obesity and Obesity-Induced Metabolic Dysfunctions.
Zhou Y, Mukherjee S, Huang D, Chakraborty M, Gu C, Zong G, Stashko MA, Pearce KH, Shears SB, Chakraborty A, Wang H, Wang X.
J Med Chem (2022) 65 : 6869 -6887
PubMed 35467861 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 6.31 7.58

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5169462 1 7.58
CHEMBL5181623 1 7.57
CHEMBL5190343 1 7.24
CHEMBL5200214 1 7.11
CHEMBL5184940 1 7.09
CHEMBL5204881 1 7.08
CHEMBL5186210 1 6.96
CHEMBL5201056 1 6.89
CHEMBL5184960 1 6.89
CHEMBL5190846 1 6.80
CHEMBL5196483 1 6.77
CHEMBL5201078 1 6.77
CHEMBL5197626 1 6.72
CHEMBL5175579 1 6.62
CHEMBL5186729 1 6.55
CHEMBL5188320 1 6.50
CHEMBL5198845 1 6.43
CHEMBL5192487 1 6.37
CHEMBL5206215 1 6.37
CHEMBL5185725 1 6.35
CHEMBL5203362 1 6.21
CHEMBL5189856 1 6.16
CHEMBL5171388 1 6.15
CHEMBL5185229 1 6.10
CHEMBL1485263 1 6.07
CHEMBL1460920 1 6.04
CHEMBL467591 1 6.00
CHEMBL1379963 1 5.95
CHEMBL5205377 1 5.81
CHEMBL5199101 1 5.81

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5169462 IC50 = 26.0 nM 7.58
CHEMBL5181623 IC50 = 27.0 nM 7.57
CHEMBL5190343 IC50 = 57.0 nM 7.24
CHEMBL5200214 IC50 = 78.0 nM 7.11
CHEMBL5184940 IC50 = 81.0 nM 7.09
CHEMBL5204881 IC50 = 84.0 nM 7.08
CHEMBL5186210 IC50 = 110.0 nM 6.96
CHEMBL5201056 IC50 = 130.0 nM 6.89
CHEMBL5184960 IC50 = 130.0 nM 6.89
CHEMBL5190846 IC50 = 160.0 nM 6.80
CHEMBL5196483 IC50 = 170.0 nM 6.77
CHEMBL5201078 IC50 = 170.0 nM 6.77
CHEMBL5197626 IC50 = 190.0 nM 6.72
CHEMBL5175579 IC50 = 240.0 nM 6.62
CHEMBL5186729 IC50 = 280.0 nM 6.55
CHEMBL5188320 IC50 = 320.0 nM 6.50
CHEMBL5198845 IC50 = 370.0 nM 6.43
CHEMBL5206215 IC50 = 430.0 nM 6.37
CHEMBL5192487 IC50 = 430.0 nM 6.37
CHEMBL5185725 IC50 = 450.0 nM 6.35
CHEMBL5203362 IC50 = 610.0 nM 6.21
CHEMBL5189856 IC50 = 700.0 nM 6.16
CHEMBL5171388 IC50 = 710.0 nM 6.15
CHEMBL5185229 IC50 = 800.0 nM 6.10
CHEMBL1485263 IC50 = 860.0 nM 6.07
CHEMBL1460920 IC50 = 910.0 nM 6.04
CHEMBL467591 IC50 = 1000.0 nM 6.00
CHEMBL1379963 IC50 = 1120.0 nM 5.95
CHEMBL5205377 IC50 = 1560.0 nM 5.81
CHEMBL5199101 IC50 = 1560.0 nM 5.81
CHEMBL5178548 IC50 = 1800.0 nM 5.75
CHEMBL1368139 IC50 = 3000.0 nM 5.52
CHEMBL5209246 IC50 = 3130.0 nM 5.50
CHEMBL5195827 IC50 = 4370.0 nM 5.36
CHEMBL5178065 IC50 = 5620.0 nM 5.25
CHEMBL5188989 IC50 = 20000.0 nM 4.70
CHEMBL5177760 IC50 = 29500.0 nM 4.53