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Assay Detail

CHEMBL3425231

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

Binding
Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type A549
Confidence 9 — Direct single protein target
Curated By Autocuration

Publication

Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3.
Boyd S, Brookfield JL, Critchlow SE, Cumming IA, Curtis NJ, Debreczeni J, Degorce SL, Donald C, Evans NJ, Groombridge S, Hopcroft P, Jones NP, Kettle JG, Lamont S, Lewis HJ, MacFaull P, McLoughlin SB, Rigoreau LJ, Smith JM, St-Gallay S, Stock JK, Turnbull AP, Wheatley ER, Winter J, Wingfield J.
J Med Chem (2015) 58 : 3611 -3625
PubMed 25849762 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 6.13 7.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3422678 1 7.17
CHEMBL3422674 1 6.85
CHEMBL3422676 1 6.55
CHEMBL3422677 1 6.53
CHEMBL3422651 1 6.46
CHEMBL3422672 1 6.20
CHEMBL3421731 1 6.01
CHEMBL3422664 1 5.52
CHEMBL3422671 1 5.13
CHEMBL3422670 1 4.85
CHEMBL3422652 1 -
CHEMBL3422657 1 -
CHEMBL3422658 1 -
CHEMBL3422659 1 -
CHEMBL3422679 1 -
CHEMBL3422680 1 -
CHEMBL3421733 1 -
CHEMBL3421735 1 -
CHEMBL3422654 1 -
CHEMBL3421736 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3422678 IC50 = 67.0 nM 7.17
CHEMBL3422674 IC50 = 140.0 nM 6.85
CHEMBL3422676 IC50 = 281.0 nM 6.55
CHEMBL3422677 IC50 = 297.0 nM 6.53
CHEMBL3422651 IC50 = 343.0 nM 6.46
CHEMBL3422672 IC50 = 633.0 nM 6.20
CHEMBL3421731 IC50 = 979.0 nM 6.01
CHEMBL3422664 IC50 = 3050.0 nM 5.52
CHEMBL3422671 IC50 = 7480.0 nM 5.13
CHEMBL3422670 IC50 = 14000.0 nM 4.85
CHEMBL3422652 IC50 > 30000.0 nM -
CHEMBL3422657 IC50 > 30000.0 nM -
CHEMBL3422658 IC50 > 30000.0 nM -
CHEMBL3422659 IC50 > 30000.0 nM -
CHEMBL3422679 IC50 > 30000.0 nM -
CHEMBL3422680 IC50 > 30000.0 nM -
CHEMBL3421733 IC50 > 30000.0 nM -
CHEMBL3421735 IC50 > 30000.0 nM -
CHEMBL3422654 IC50 > 30000.0 nM -
CHEMBL3421736 IC50 > 30000.0 nM -