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Assay Detail

CHEMBL828775

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

Binding
Inhibition constant against human intestinal carboxylesterase 2 using CPT-11
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

Cocaine esterase (CHEMBL3180)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Wadkins RM, Hyatt JL, Wei X, Yoon KJ, Wierdl M, Edwards CC, Morton CL, Obenauer JC, Damodaran K, Beroza P, Danks MK, Potter PM.
J Med Chem (2005) 48 : 2906 -2915
PubMed 15828829 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 7 7.09 7.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL191847 1 7.47
CHEMBL362996 1 7.41
CHEMBL193140 1 7.04
CHEMBL192180 1 6.77
CHEMBL189886 BENZIL 1 6.76
CHEMBL192139 1 -
CHEMBL193228 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL191847 Ki = 33.8 nM 7.47
CHEMBL362996 Ki = 39.1 nM 7.41
CHEMBL193140 Ki = 91.9 nM 7.04
CHEMBL192180 Ki = 169.0 nM 6.77
CHEMBL189886 BENZIL Ki = 175.0 nM 6.76
CHEMBL192139 Ki > 100000.0 nM -
CHEMBL193228 Ki > 100000.0 nM -