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Assay Detail

CHEMBL4008874

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

Binding
Inhibition of PDHK1 in human PC3 cells assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by ELISA
13
Total Activities
13
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

Publication

Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
Brough PA, Baker L, Bedford S, Brown K, Chavda S, Chell V, D'Alessandro J, Davies NG, Davis B, Le Strat L, Macias AT, Maddox D, Mahon PC, Massey AJ, Matassova N, McKenna S, Meissner JW, Moore JD, Murray JB, Northfield CJ, Parry C, Parsons R, Roughley SD, Shaw T, Simmonite H, Stokes S, Surgenor A, Stefaniak E, Robertson A, Wang Y, Webb P, Whitehead N, Wood M.
J Med Chem (2017) 60 : 2271 -2286
PubMed 28199108 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 5.82 7.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1231132 1 7.39
CHEMBL316388 1 7.18
CHEMBL3727577 1 6.24
CHEMBL3732469 1 5.76
CHEMBL3715902 1 5.74
CHEMBL3727843 1 5.67
CHEMBL3716663 1 5.57
CHEMBL4100504 1 5.56
CHEMBL3717621 1 5.56
CHEMBL3718319 1 5.52
CHEMBL3731789 1 5.25
CHEMBL3717438 1 5.24
CHEMBL3732579 1 4.97

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1231132 IC50 = 41.0 nM 7.39
CHEMBL316388 IC50 = 66.0 nM 7.18
CHEMBL3727577 IC50 = 573.0 nM 6.24
CHEMBL3732469 IC50 = 1720.0 nM 5.76
CHEMBL3715902 IC50 = 1820.0 nM 5.74
CHEMBL3727843 IC50 = 2150.0 nM 5.67
CHEMBL3716663 IC50 = 2680.0 nM 5.57
CHEMBL4100504 IC50 = 2740.0 nM 5.56
CHEMBL3717621 IC50 = 2780.0 nM 5.56
CHEMBL3718319 IC50 = 3010.0 nM 5.52
CHEMBL3731789 IC50 = 5650.0 nM 5.25
CHEMBL3717438 IC50 = 5770.0 nM 5.24
CHEMBL3732579 IC50 = 10600.0 nM 4.97