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Assay Detail

CHEMBL5332682

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

Binding
Inhibition of ATR (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
62
Total Activities
62
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

Serine/threonine-protein kinase ATR (CHEMBL5024)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of novel 7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidines as ATR inhibitors based on structure-based drug design.
Qi Y, Wang K, Long B, Yue H, Wu Y, Yang D, Tong M, Shi X, Hou Y, Zhao Y.
Eur J Med Chem (2023) 246 : 114945 -114945
PubMed 36462444 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 62 7.90 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5424025 1 8.70
CHEMBL5432859 1 8.70
CHEMBL5422058 1 8.52
CHEMBL5423608 1 8.52
CHEMBL5412749 1 8.40
CHEMBL5427147 1 8.40
CHEMBL5415921 1 8.40
CHEMBL5408725 1 8.40
CHEMBL2325697 1 8.30
CHEMBL5425498 1 8.30
CHEMBL5423097 1 8.30
CHEMBL5416225 1 8.30
CHEMBL5412022 1 8.22
CHEMBL5412393 1 8.22
CHEMBL5426255 1 8.15
CHEMBL5396739 1 8.15
CHEMBL5406541 1 8.10
CHEMBL5398150 1 8.10
CHEMBL5401874 1 8.10
CHEMBL5423544 1 8.05
CHEMBL5426919 1 8.05
CHEMBL5425941 1 8.05
CHEMBL5419225 1 8.05
CHEMBL5439160 1 8.00
CHEMBL5399603 1 7.92
CHEMBL5440718 1 7.89
CHEMBL5393965 1 7.85
CHEMBL5419053 1 7.85
CHEMBL5398694 1 7.82
CHEMBL5424546 1 7.77

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5424025 IC50 = 2.0 nM 8.70
CHEMBL5432859 IC50 = 2.0 nM 8.70
CHEMBL5423608 IC50 = 3.0 nM 8.52
CHEMBL5422058 IC50 = 3.0 nM 8.52
CHEMBL5412749 IC50 = 4.0 nM 8.40
CHEMBL5427147 IC50 = 4.0 nM 8.40
CHEMBL5415921 IC50 = 4.0 nM 8.40
CHEMBL5408725 IC50 = 4.0 nM 8.40
CHEMBL2325697 IC50 = 5.0 nM 8.30
CHEMBL5425498 IC50 = 5.0 nM 8.30
CHEMBL5423097 IC50 = 5.0 nM 8.30
CHEMBL5416225 IC50 = 5.0 nM 8.30
CHEMBL5412022 IC50 = 6.0 nM 8.22
CHEMBL5412393 IC50 = 6.0 nM 8.22
CHEMBL5396739 IC50 = 7.0 nM 8.15
CHEMBL5426255 IC50 = 7.0 nM 8.15
CHEMBL5406541 IC50 = 8.0 nM 8.10
CHEMBL5398150 IC50 = 8.0 nM 8.10
CHEMBL5401874 IC50 = 8.0 nM 8.10
CHEMBL5423544 IC50 = 9.0 nM 8.05
CHEMBL5426919 IC50 = 9.0 nM 8.05
CHEMBL5425941 IC50 = 9.0 nM 8.05
CHEMBL5419225 IC50 = 9.0 nM 8.05
CHEMBL5439160 IC50 = 10.0 nM 8.00
CHEMBL5399603 IC50 = 12.0 nM 7.92
CHEMBL5440718 IC50 = 13.0 nM 7.89
CHEMBL5419053 IC50 = 14.0 nM 7.85
CHEMBL5393965 IC50 = 14.0 nM 7.85
CHEMBL5398694 IC50 = 15.0 nM 7.82
CHEMBL5424546 IC50 = 17.0 nM 7.77
CHEMBL5399632 IC50 = 17.0 nM 7.77
CHEMBL5395664 IC50 = 17.0 nM 7.77
CHEMBL5435065 IC50 = 18.0 nM 7.75
CHEMBL5402160 IC50 = 18.0 nM 7.75
CHEMBL5428095 IC50 = 18.0 nM 7.75
CHEMBL5419395 IC50 = 18.0 nM 7.75
CHEMBL5395004 IC50 = 19.0 nM 7.72
CHEMBL5406878 IC50 = 22.0 nM 7.66
CHEMBL5423295 IC50 = 23.0 nM 7.64
CHEMBL5420569 IC50 = 28.0 nM 7.55
CHEMBL5418740 IC50 = 29.0 nM 7.54
CHEMBL5398034 IC50 = 29.0 nM 7.54
CHEMBL5439862 IC50 = 32.0 nM 7.50
CHEMBL5433823 IC50 = 35.0 nM 7.46
CHEMBL5438125 IC50 = 38.0 nM 7.42
CHEMBL5415262 IC50 = 42.0 nM 7.38
CHEMBL5428343 IC50 = 43.0 nM 7.37
CHEMBL5404032 IC50 = 51.0 nM 7.29
CHEMBL5410944 IC50 = 52.0 nM 7.28
CHEMBL5431596 IC50 = 72.0 nM 7.14