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Assay Detail

CHEMBL5541253

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

Binding
Inhibition of human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrate
18
Total Activities
18
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

Cocaine esterase (CHEMBL3180)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Tight-Binding Small-Molecule Carboxylesterase 2 Inhibitors Reduce Intracellular Irinotecan Activation.
Kailass K, Casalena D, Jenane L, McEdwards G, Auld DS, Sadovski O, Kaye EG, Hudson E, Nettleton D, Currie MA, Beharry AA.
J Med Chem (2024) 67 : 2019 -2030
PubMed 38265364 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 7.08 7.75

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5567105 1 7.75
CHEMBL5593400 1 7.42
CHEMBL5567018 1 7.37
CHEMBL5574747 1 7.23
CHEMBL5569141 1 7.21
CHEMBL5575498 1 7.18
CHEMBL5572109 1 7.17
CHEMBL5569484 1 7.16
CHEMBL5565903 1 6.90
CHEMBL5573951 1 6.76
CHEMBL5572084 1 6.75
CHEMBL5572424 1 6.75
CHEMBL4095302 1 6.72
CHEMBL5569676 1 6.71
CHEMBL5568952 1 -
CHEMBL5574138 1 -
CHEMBL5573291 1 -
CHEMBL5594347 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5567105 IC50 = 18.0 nM 7.75
CHEMBL5593400 IC50 = 38.0 nM 7.42
CHEMBL5567018 IC50 = 43.0 nM 7.37
CHEMBL5574747 IC50 = 59.0 nM 7.23
CHEMBL5569141 IC50 = 61.0 nM 7.21
CHEMBL5575498 IC50 = 66.0 nM 7.18
CHEMBL5572109 IC50 = 68.0 nM 7.17
CHEMBL5569484 IC50 = 70.0 nM 7.16
CHEMBL5565903 IC50 = 126.0 nM 6.90
CHEMBL5573951 IC50 = 172.0 nM 6.76
CHEMBL5572084 IC50 = 177.0 nM 6.75
CHEMBL5572424 IC50 = 178.0 nM 6.75
CHEMBL4095302 IC50 = 189.0 nM 6.72
CHEMBL5569676 IC50 = 193.0 nM 6.71
CHEMBL5568952 IC50 < 10.0 nM -
CHEMBL5574138 IC50 < 10.0 nM -
CHEMBL5573291 IC50 < 10.0 nM -
CHEMBL5594347 IC50 - -