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Assay Detail

CHEMBL4345255

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

Binding
Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins followed by substrate addition and measured after 3 hrs by PPiLight Inorganic Pyrophosphate assay kit method
44
Total Activities
44
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

Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Farand J, Kropf JE, Blomgren P, Xu J, Schmitt AC, Newby ZE, Wang T, Murakami E, Barauskas O, Sudhamsu J, Feng JY, Niedziela-Majka A, Schultz BE, Schwartz K, Viatchenko-Karpinski S, Kornyeyev D, Kashishian A, Fan P, Chen X, Lansdon EB, Ports MO, Currie KS, Watkins WJ, Notte GT.
ACS Med Chem Lett (2020) 11 : 358 -364
PubMed 32184970 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 44 7.92 10.37

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4436749 1 10.37
CHEMBL4570266 1 10.22
CHEMBL4460228 1 9.96
CHEMBL4435945 1 9.82
CHEMBL4529335 1 9.77
CHEMBL4460446 1 9.48
CHEMBL4435983 1 9.31
CHEMBL4577002 1 9.21
CHEMBL4537820 1 9.15
CHEMBL4565830 1 9.10
CHEMBL4534555 1 9.09
CHEMBL4464305 1 8.96
CHEMBL4437933 1 8.43
CHEMBL3781316 1 8.39
CHEMBL4439723 1 8.39
CHEMBL4444960 1 8.25
CHEMBL4476519 1 8.17
CHEMBL4470452 1 8.14
CHEMBL4587534 1 7.92
CHEMBL4570428 1 7.89
CHEMBL4445709 1 7.89
CHEMBL4565569 1 7.82
CHEMBL4574443 1 7.80
CHEMBL4568781 1 7.70
CHEMBL4458818 1 7.58
CHEMBL3782004 1 7.58
CHEMBL4578510 1 7.40
CHEMBL4447886 1 7.40
CHEMBL4532517 1 7.29
CHEMBL4439595 1 7.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4436749 IC50 = 0.043 nM 10.37
CHEMBL4570266 IC50 = 0.06 nM 10.22
CHEMBL4460228 IC50 = 0.11 nM 9.96
CHEMBL4435945 IC50 = 0.15 nM 9.82
CHEMBL4529335 IC50 = 0.17 nM 9.77
CHEMBL4460446 IC50 = 0.33 nM 9.48
CHEMBL4435983 IC50 = 0.49 nM 9.31
CHEMBL4577002 IC50 = 0.61 nM 9.21
CHEMBL4537820 IC50 = 0.7 nM 9.15
CHEMBL4565830 IC50 = 0.8 nM 9.10
CHEMBL4534555 IC50 = 0.82 nM 9.09
CHEMBL4464305 IC50 = 1.1 nM 8.96
CHEMBL4437933 IC50 = 3.7 nM 8.43
CHEMBL3781316 IC50 = 4.1 nM 8.39
CHEMBL4439723 IC50 = 4.1 nM 8.39
CHEMBL4444960 IC50 = 5.6 nM 8.25
CHEMBL4476519 IC50 = 6.8 nM 8.17
CHEMBL4470452 IC50 = 7.2 nM 8.14
CHEMBL4587534 IC50 = 12.0 nM 7.92
CHEMBL4570428 IC50 = 13.0 nM 7.89
CHEMBL4445709 IC50 = 13.0 nM 7.89
CHEMBL4565569 IC50 = 15.0 nM 7.82
CHEMBL4574443 IC50 = 16.0 nM 7.80
CHEMBL4568781 IC50 = 20.0 nM 7.70
CHEMBL4458818 IC50 = 26.0 nM 7.58
CHEMBL3782004 IC50 = 26.0 nM 7.58
CHEMBL4578510 IC50 = 40.0 nM 7.40
CHEMBL4447886 IC50 = 40.0 nM 7.40
CHEMBL4532517 IC50 = 51.0 nM 7.29
CHEMBL4439595 IC50 = 62.0 nM 7.21
CHEMBL4463391 IC50 = 81.0 nM 7.09
CHEMBL4540488 IC50 = 125.0 nM 6.90
CHEMBL4475123 IC50 = 207.0 nM 6.68
CHEMBL1825141 IC50 = 366.0 nM 6.44
CHEMBL3793901 IC50 = 421.0 nM 6.38
CHEMBL4442962 IC50 = 467.0 nM 6.33
CHEMBL4575540 IC50 = 773.0 nM 6.11
CHEMBL4452041 IC50 = 936.0 nM 6.03
CHEMBL4531128 IC50 = 946.0 nM 6.02
CHEMBL4593996 IC50 = 952.0 nM 6.02
CHEMBL4517777 IC50 = 9077.0 nM 5.04
CHEMBL4468099 IC50 < 0.05 nM -
CHEMBL4455353 IC50 < 0.05 nM -
CHEMBL4451394 IC50 < 0.05 nM -