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Assay Detail

CHEMBL4821415

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

Binding
Inhibition of human recombinant CES2 expressed in mouse NSO cells using 4-NPA as substrate by spectrophotometric analysis
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type NSO
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cocaine esterase (CHEMBL3180)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold.
Makhaeva GF, Lushchekina SV, Boltneva NP, Serebryakova OG, Kovaleva NV, Rudakova EV, Elkina NA, Shchegolkov EV, Burgart YV, Stupina TS, Terentiev AA, Radchenko EV, Palyulin VA, Saloutin VI, Bachurin SO, Richardson RJ.
Eur J Med Chem (2021) 218 : 113385 -113385
PubMed 33831780 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 7.37 8.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4854298 1 8.39
CHEMBL4853742 1 8.36
CHEMBL4858186 1 8.01
CHEMBL4868014 1 7.97
CHEMBL4855838 1 7.77
CHEMBL4853637 1 7.63
CHEMBL4849436 1 7.32
CHEMBL4855755 1 7.15
CHEMBL4849361 1 7.14
CHEMBL4868687 1 6.71
CHEMBL4849604 1 6.64
CHEMBL4872772 1 6.47
CHEMBL4853013 1 6.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4854298 IC50 = 4.04 nM 8.39
CHEMBL4853742 IC50 = 4.33 nM 8.36
CHEMBL4858186 IC50 = 9.84 nM 8.01
CHEMBL4868014 IC50 = 10.81 nM 7.97
CHEMBL4855838 IC50 = 16.92 nM 7.77
CHEMBL4853637 IC50 = 23.44 nM 7.63
CHEMBL4849436 IC50 = 47.74 nM 7.32
CHEMBL4855755 IC50 = 70.51 nM 7.15
CHEMBL4849361 IC50 = 72.31 nM 7.14
CHEMBL4868687 IC50 = 193.34 nM 6.71
CHEMBL4849604 IC50 = 230.09 nM 6.64
CHEMBL4872772 IC50 = 339.25 nM 6.47
CHEMBL4853013 IC50 = 610.24 nM 6.21