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Assay Detail

CHEMBL1816213

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

Binding
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry
22
Total Activities
22
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

Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones.
Parkinson EI, Jason Hatfield M, Tsurkan L, Hyatt JL, Edwards CC, Hicks LD, Yan B, Potter PM.
Bioorg Med Chem (2011) 19 : 4635 -4643
PubMed 21733699 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 6.72 8.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1812859 1 8.24
CHEMBL1812858 1 7.59
CHEMBL1812864 1 7.54
CHEMBL189886 BENZIL 1 7.35
CHEMBL1812863 1 7.34
CHEMBL1812856 1 7.24
CHEMBL235287 1 7.14
CHEMBL1812862 1 7.14
CHEMBL1812857 1 7.12
CHEMBL1812855 1 6.72
CHEMBL1812852 1 6.57
CHEMBL1812851 1 6.48
CHEMBL1812861 1 6.40
CHEMBL192258 1 5.74
CHEMBL1812860 1 5.62
CHEMBL1812854 1 5.33
CHEMBL1812850 1 4.67
CHEMBL365809 BUTANEDIONE 1 -
CHEMBL1812853 1 -
CHEMBL1812849 DIPHENYL ETHANEDIOAT 1 -
CHEMBL1812848 1 -
CHEMBL1812847 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1812859 Ki = 5.7 nM 8.24
CHEMBL1812858 Ki = 25.6 nM 7.59
CHEMBL1812864 Ki = 28.7 nM 7.54
CHEMBL189886 BENZIL Ki = 45.0 nM 7.35
CHEMBL1812863 Ki = 45.5 nM 7.34
CHEMBL1812856 Ki = 57.7 nM 7.24
CHEMBL235287 Ki = 72.0 nM 7.14
CHEMBL1812862 Ki = 72.7 nM 7.14
CHEMBL1812857 Ki = 76.4 nM 7.12
CHEMBL1812855 Ki = 189.0 nM 6.72
CHEMBL1812852 Ki = 267.0 nM 6.57
CHEMBL1812851 Ki = 334.0 nM 6.48
CHEMBL1812861 Ki = 401.0 nM 6.40
CHEMBL192258 Ki = 1840.0 nM 5.74
CHEMBL1812860 Ki = 2420.0 nM 5.62
CHEMBL1812854 Ki = 4670.0 nM 5.33
CHEMBL1812850 Ki = 21610.0 nM 4.67
CHEMBL365809 BUTANEDIONE Ki > 100000.0 nM -
CHEMBL1812853 Ki > 100000.0 nM -
CHEMBL1812849 DIPHENYL ETHANEDIOAT Ki > 100000.0 nM -
CHEMBL1812848 Ki > 100000.0 nM -
CHEMBL1812847 Ki > 100000.0 nM -