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Assay Detail

CHEMBL4821399

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

Binding
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Sus scrofa
Tissue Liver
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Liver carboxylesterase (CHEMBL3383)
Type SINGLE PROTEIN
Organism Sus scrofa

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 25 7.11 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4854298 1 8.30
CHEMBL4868014 1 8.29
CHEMBL4853742 1 8.21
CHEMBL4853637 1 8.14
CHEMBL4858186 1 8.14
CHEMBL4849361 1 8.13
CHEMBL4855838 1 8.12
CHEMBL4855755 1 7.88
CHEMBL4868687 1 7.56
CHEMBL4847987 1 7.38
CHEMBL4856140 1 7.33
CHEMBL4872772 1 7.33
CHEMBL4849436 1 7.26
CHEMBL4848799 1 7.05
CHEMBL4879228 1 6.99
CHEMBL4849604 1 6.99
CHEMBL4853013 1 6.79
CHEMBL4870030 1 5.80
CHEMBL1231178 1 5.75
CHEMBL4849511 1 5.49
CHEMBL4878259 1 5.26
CHEMBL4872814 1 4.25
CHEMBL153 TROLOX 1 -
CHEMBL196 ASCORBIC ACID 4.0 1 -
CHEMBL280998 CATECHOL 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4854298 IC50 = 4.95 nM 8.30
CHEMBL4868014 IC50 = 5.14 nM 8.29
CHEMBL4853742 IC50 = 6.14 nM 8.21
CHEMBL4853637 IC50 = 7.27 nM 8.14
CHEMBL4858186 IC50 = 7.16 nM 8.14
CHEMBL4849361 IC50 = 7.41 nM 8.13
CHEMBL4855838 IC50 = 7.65 nM 8.12
CHEMBL4855755 IC50 = 13.1 nM 7.88
CHEMBL4868687 IC50 = 27.8 nM 7.56
CHEMBL4847987 IC50 = 41.6 nM 7.38
CHEMBL4856140 IC50 = 47.1 nM 7.33
CHEMBL4872772 IC50 = 46.7 nM 7.33
CHEMBL4849436 IC50 = 55.5 nM 7.26
CHEMBL4848799 IC50 = 89.3 nM 7.05
CHEMBL4879228 IC50 = 102.0 nM 6.99
CHEMBL4849604 IC50 = 103.0 nM 6.99
CHEMBL4853013 IC50 = 164.0 nM 6.79
CHEMBL4870030 IC50 = 1570.0 nM 5.80
CHEMBL1231178 IC50 = 1800.0 nM 5.75
CHEMBL4849511 IC50 = 3230.0 nM 5.49
CHEMBL4878259 IC50 = 5540.0 nM 5.26
CHEMBL4872814 IC50 = 56600.0 nM 4.25
CHEMBL153 TROLOX IC50 - -
CHEMBL196 ASCORBIC ACID IC50 - -
CHEMBL280998 CATECHOL IC50 - -