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Assay Detail

CHEMBL4037928

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

Binding
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC after 60 mins by cellular thermal shift assay
6
Total Activities
6
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

Oxidized purine nucleoside triphosphate hydrolase (CHEMBL3708265)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A, Ericsson U, Forsblom R, Ginman T, Günther J, Hallberg K, Lindström J, Persson LB, Silvander C, Talagas A, Díaz-Sáez L, Fedorov O, Huber KVM, Panagakou I, Siejka P, Gorjánácz M, Bauser M, Andersson M.
J Med Chem (2018) 61 : 2533 -2551
PubMed 29485874 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 6 7.68 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4091768 1 8.70
CHEMBL4073623 1 8.70
CHEMBL4094252 1 8.00
CHEMBL4061204 1 7.20
CHEMBL3782004 1 6.90
CHEMBL4066892 1 6.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4091768 EC50 = 1.995 nM 8.70
CHEMBL4073623 EC50 = 1.995 nM 8.70
CHEMBL4094252 EC50 = 10.0 nM 8.00
CHEMBL4061204 EC50 = 63.1 nM 7.20
CHEMBL3782004 EC50 = 125.89 nM 6.90
CHEMBL4066892 EC50 = 251.19 nM 6.60