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Assay Detail

CHEMBL3372398

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

Binding
Inhibition of human ATR using ATP substrate measured after 3 hrs
13
Total Activities
13
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

Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors.
Barsanti PA, Pan Y, Lu Y, Jain R, Cox M, Aversa RJ, Dillon MP, Elling R, Hu C, Jin X, Knapp M, Lan J, Ramurthy S, Rudewicz P, Setti L, Subramanian S, Mathur M, Taricani L, Thomas G, Xiao L, Yue Q.
ACS Med Chem Lett (2015) 6 : 42 -46
PubMed 25589928 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 8.24 10.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3355476 1 10.00
CHEMBL3355474 1 9.70
CHEMBL3355475 1 9.40
CHEMBL3355480 1 9.30
CHEMBL3355473 1 9.00
CHEMBL3355472 1 8.30
CHEMBL3355478 1 8.22
CHEMBL3352848 1 7.58
CHEMBL3355477 1 7.47
CHEMBL3355471 1 7.41
CHEMBL3355470 1 7.02
CHEMBL3355469 1 7.02
CHEMBL3355479 1 6.72

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3355476 IC50 = 0.1 nM 10.00
CHEMBL3355474 IC50 = 0.2 nM 9.70
CHEMBL3355475 IC50 = 0.4 nM 9.40
CHEMBL3355480 IC50 = 0.5 nM 9.30
CHEMBL3355473 IC50 = 1.0 nM 9.00
CHEMBL3355472 IC50 = 5.0 nM 8.30
CHEMBL3355478 IC50 = 6.0 nM 8.22
CHEMBL3352848 IC50 = 26.0 nM 7.58
CHEMBL3355477 IC50 = 34.0 nM 7.47
CHEMBL3355471 IC50 = 39.0 nM 7.41
CHEMBL3355470 IC50 = 95.0 nM 7.02
CHEMBL3355469 IC50 = 96.0 nM 7.02
CHEMBL3355479 IC50 = 190.0 nM 6.72