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Assay Detail

CHEMBL3108467

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

Binding
Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HCT-116
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Aldo-keto reductase family 1 member C3 (CHEMBL4681)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase (AKR1C3).
Flanagan JU, Atwell GJ, Heinrich DM, Brooke DG, Silva S, Rigoreau LJ, Trivier E, Turnbull AP, Raynham T, Jamieson SM, Denny WA.
Bioorg Med Chem (2014) 22 : 967 -977
PubMed 24411201 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 7.68 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3103330 1 8.52
CHEMBL3103349 1 8.00
CHEMBL3103348 1 7.92
CHEMBL3103332 1 7.89
CHEMBL3103331 1 7.89
CHEMBL3103347 1 7.75
CHEMBL3103346 1 7.66
CHEMBL3103334 1 7.51
CHEMBL3103323 1 7.23
CHEMBL3103324 1 6.41

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3103330 IC50 = 3.0 nM 8.52
CHEMBL3103349 IC50 = 10.0 nM 8.00
CHEMBL3103348 IC50 = 12.0 nM 7.92
CHEMBL3103332 IC50 = 13.0 nM 7.89
CHEMBL3103331 IC50 = 13.0 nM 7.89
CHEMBL3103347 IC50 = 18.0 nM 7.75
CHEMBL3103346 IC50 = 22.0 nM 7.66
CHEMBL3103334 IC50 = 31.0 nM 7.51
CHEMBL3103323 IC50 = 59.0 nM 7.23
CHEMBL3103324 IC50 = 390.0 nM 6.41