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Assay Detail

CHEMBL5111529

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

Binding
Inhibition of human DNA polymerase theta pol domain (1819 to 2590 residues) expressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by DNA and dNTP addition and measured after 120 mins by Picogreen dye fluorescence intensity analysis
48
Total Activities
48
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

DNA polymerase theta (CHEMBL6025)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of <b>RP-6685</b>, an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Polθ.
Bubenik M, Mader P, Mochirian P, Vallée F, Clark J, Truchon JF, Perryman AL, Pau V, Kurinov I, Zahn KE, Leclaire ME, Papp R, Mathieu MC, Hamel M, Duffy NM, Godbout C, Casas-Selves M, Falgueyret JP, Baruah PS, Nicolas O, Stocco R, Poirier H, Martino G, Fortin AB, Roulston A, Chefson A, Dorich S, St-Onge M, Patel P, Pellerin C, Ciblat S, Pinter T, Barabé F, El Bakkouri M, Parikh P, Gervais C, Sfeir A, Mamane Y, Morris SJ, Black WC, Sicheri F, Gallant M.
J Med Chem (2022) 65 : 13198 -13215
PubMed 36126059 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 48 7.59 10.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5204203 1 10.17
CHEMBL5175156 1 9.70
CHEMBL5206022 1 9.40
CHEMBL5197367 1 9.29
CHEMBL5174509 1 9.14
CHEMBL5197173 1 9.12
CHEMBL5170373 1 9.09
CHEMBL5194637 1 9.04
CHEMBL5197021 1 9.00
CHEMBL5187337 1 8.92
CHEMBL5188048 1 8.85
CHEMBL5181369 1 8.80
CHEMBL5174376 1 8.77
CHEMBL5200250 1 8.68
CHEMBL5174283 1 8.60
CHEMBL5195161 1 8.54
CHEMBL5194194 1 8.41
CHEMBL5206029 1 8.38
CHEMBL5202450 1 8.31
CHEMBL5187422 1 8.24
CHEMBL5200171 1 8.05
CHEMBL5178605 1 7.85
CHEMBL5203967 1 7.85
CHEMBL5185359 1 7.77
CHEMBL5195920 1 7.77
CHEMBL5181740 1 7.72
CHEMBL5178606 1 7.40
CHEMBL5206197 1 7.38
CHEMBL5208584 1 7.24
CHEMBL5181730 1 7.19

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5204203 IC50 = 0.068 nM 10.17
CHEMBL5175156 IC50 = 0.2 nM 9.70
CHEMBL5206022 IC50 = 0.4 nM 9.40
CHEMBL5197367 IC50 = 0.51 nM 9.29
CHEMBL5174509 IC50 = 0.72 nM 9.14
CHEMBL5197173 IC50 = 0.75 nM 9.12
CHEMBL5170373 IC50 = 0.82 nM 9.09
CHEMBL5194637 IC50 = 0.91 nM 9.04
CHEMBL5197021 IC50 = 0.99 nM 9.00
CHEMBL5187337 IC50 = 1.2 nM 8.92
CHEMBL5188048 IC50 = 1.4 nM 8.85
CHEMBL5181369 IC50 = 1.6 nM 8.80
CHEMBL5174376 IC50 = 1.7 nM 8.77
CHEMBL5200250 IC50 = 2.1 nM 8.68
CHEMBL5174283 IC50 = 2.5 nM 8.60
CHEMBL5195161 IC50 = 2.9 nM 8.54
CHEMBL5194194 IC50 = 3.9 nM 8.41
CHEMBL5206029 IC50 = 4.2 nM 8.38
CHEMBL5202450 IC50 = 4.9 nM 8.31
CHEMBL5187422 IC50 = 5.8 nM 8.24
CHEMBL5200171 IC50 = 9.0 nM 8.05
CHEMBL5178605 IC50 = 14.0 nM 7.85
CHEMBL5203967 IC50 = 14.0 nM 7.85
CHEMBL5195920 IC50 = 17.0 nM 7.77
CHEMBL5185359 IC50 = 17.0 nM 7.77
CHEMBL5181740 IC50 = 19.0 nM 7.72
CHEMBL5178606 IC50 = 40.0 nM 7.40
CHEMBL5206197 IC50 = 42.0 nM 7.38
CHEMBL5208584 IC50 = 58.0 nM 7.24
CHEMBL5181730 IC50 = 65.0 nM 7.19
CHEMBL5200543 IC50 = 121.0 nM 6.92
CHEMBL5185248 IC50 = 170.0 nM 6.77
CHEMBL5175626 IC50 = 240.0 nM 6.62
CHEMBL5199017 IC50 = 520.0 nM 6.28
CHEMBL5170248 IC50 = 560.0 nM 6.25
CHEMBL5190448 IC50 = 710.0 nM 6.15
CHEMBL5188740 IC50 = 950.0 nM 6.02
CHEMBL5205344 IC50 = 2200.0 nM 5.66
CHEMBL5181359 IC50 = 2300.0 nM 5.64
CHEMBL5190798 IC50 = 2700.0 nM 5.57
CHEMBL5202303 IC50 = 3200.0 nM 5.50
CHEMBL5195660 IC50 = 9200.0 nM 5.04
CHEMBL5188985 IC50 = 10000.0 nM 5.00
CHEMBL5179070 IC50 = 11000.0 nM 4.96
CHEMBL5173015 IC50 = 43000.0 nM 4.37
CHEMBL5181666 IC50 > 100000.0 nM -
CHEMBL5188372 IC50 > 100000.0 nM -
CHEMBL5176451 IC50 > 100000.0 nM -