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Assay Detail

CHEMBL4395512

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Binding
Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 mins by malachite green dye based pyrophosphatase coupled colorimetric assay
12
Total Activities
12
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

Ligand retargeting by binding site analogy.
Wiedmer L, Schärer C, Spiliotopoulos D, Hürzeler M, Śledź P, Caflisch A.
Eur J Med Chem (2019) 175 : 107 -113
PubMed 31077996 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 5.69 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3782004 1 8.30
CHEMBL4561244 1 7.52
CHEMBL4446950 1 6.40
CHEMBL4541864 1 6.10
CHEMBL4589188 1 5.96
CHEMBL4448755 1 4.77
CHEMBL1232596 1 4.64
CHEMBL1221922 1 4.55
CHEMBL305513 1 4.36
CHEMBL404150 1 4.34
CHEMBL4476663 1 -
CHEMBL389685 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3782004 IC50 = 5.0 nM 8.30
CHEMBL4561244 IC50 = 30.0 nM 7.52
CHEMBL4446950 IC50 = 400.0 nM 6.40
CHEMBL4541864 IC50 = 800.0 nM 6.10
CHEMBL4589188 IC50 = 1100.0 nM 5.96
CHEMBL4448755 IC50 = 17000.0 nM 4.77
CHEMBL1232596 IC50 = 23000.0 nM 4.64
CHEMBL1221922 IC50 = 28000.0 nM 4.55
CHEMBL305513 IC50 = 44000.0 nM 4.36
CHEMBL404150 IC50 = 46000.0 nM 4.34
CHEMBL4476663 IC50 = 123000.0 nM -
CHEMBL389685 IC50 = 132000.0 nM -