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Assay Detail

CHEMBL828255

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

Binding
Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate
61
Total Activities
61
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

Cholinesterase (CHEMBL1914)
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 61 5.92 6.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL192627 CHLORANIL 1 6.57
CHEMBL8320 BENZOQUINONE 1 5.69
CHEMBL364729 1 5.50
CHEMBL365129 1 -
CHEMBL195713 1 -
CHEMBL191676 1 -
CHEMBL372856 1 -
CHEMBL192657 1 -
CHEMBL192039 1 -
CHEMBL366205 1 -
CHEMBL425192 1 -
CHEMBL191796 1 -
CHEMBL365517 1 -
CHEMBL192589 1 -
CHEMBL191847 1 -
CHEMBL191739 1 -
CHEMBL192139 1 -
CHEMBL191822 1 -
CHEMBL435109 1 -
CHEMBL191513 1 -
CHEMBL192474 1 -
CHEMBL193140 1 -
CHEMBL192625 1 -
CHEMBL371858 1 -
CHEMBL192252 1 -
CHEMBL192180 1 -
CHEMBL370059 1 -
CHEMBL193180 1 -
CHEMBL193229 1 -
CHEMBL192241 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL192627 CHLORANIL Ki = 268.0 nM 6.57
CHEMBL8320 BENZOQUINONE Ki = 2050.0 nM 5.69
CHEMBL364729 Ki = 3200.0 nM 5.50
CHEMBL191676 Ki > 100000.0 nM -
CHEMBL189727 Ki > 100000.0 nM -
CHEMBL195713 Ki > 100000.0 nM -
CHEMBL365129 Ki > 100000.0 nM -
CHEMBL189988 BENZYLSULFONYLBENZENE Ki > 100000.0 nM -
CHEMBL190496 Ki > 100000.0 nM -
CHEMBL363186 Ki > 100000.0 nM -
CHEMBL192258 Ki > 100000.0 nM -
CHEMBL365809 BUTANEDIONE Ki > 100000.0 nM -
CHEMBL90039 BENZOPHENONE Ki > 100000.0 nM -
CHEMBL371523 DIBENZOYLMETHANE Ki > 100000.0 nM -
CHEMBL190677 BENZOIN Ki > 100000.0 nM -
CHEMBL365982 Ki > 100000.0 nM -
CHEMBL370299 Ki > 100000.0 nM -
CHEMBL192595 Ki > 100000.0 nM -
CHEMBL192648 Ki > 100000.0 nM -
CHEMBL363855 Ki > 100000.0 nM -
CHEMBL364734 Ki > 100000.0 nM -
CHEMBL192809 2,3-PENTANEDIONE Ki > 100000.0 nM -
CHEMBL191625 Ki > 100000.0 nM -
CHEMBL371371 Ki > 100000.0 nM -
CHEMBL193228 Ki > 100000.0 nM -
CHEMBL364588 Ki > 100000.0 nM -
CHEMBL435109 Ki > 100000.0 nM -
CHEMBL192241 Ki > 100000.0 nM -
CHEMBL193229 Ki > 100000.0 nM -
CHEMBL193180 Ki > 100000.0 nM -
CHEMBL370059 Ki > 100000.0 nM -
CHEMBL192180 Ki > 100000.0 nM -
CHEMBL192252 Ki > 100000.0 nM -
CHEMBL371858 Ki > 100000.0 nM -
CHEMBL192625 Ki > 100000.0 nM -
CHEMBL193140 Ki > 100000.0 nM -
CHEMBL192474 Ki > 100000.0 nM -
CHEMBL191513 Ki > 100000.0 nM -
CHEMBL372856 Ki > 100000.0 nM -
CHEMBL191822 Ki > 100000.0 nM -
CHEMBL192139 Ki > 100000.0 nM -
CHEMBL191739 Ki > 100000.0 nM -
CHEMBL191847 Ki > 100000.0 nM -
CHEMBL192589 Ki > 100000.0 nM -
CHEMBL365517 Ki > 100000.0 nM -
CHEMBL191796 Ki > 100000.0 nM -
CHEMBL425192 Ki > 100000.0 nM -
CHEMBL366205 Ki > 100000.0 nM -
CHEMBL192039 Ki > 100000.0 nM -
CHEMBL192657 Ki > 100000.0 nM -