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Assay Detail

CHEMBL3108471

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

Binding
Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay
53
Total Activities
53
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

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 53 6.00 7.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3103330 1 7.60
CHEMBL3103349 1 7.17
CHEMBL3103346 1 7.17
CHEMBL3103334 1 7.00
CHEMBL3103331 1 6.96
CHEMBL3103347 1 6.96
CHEMBL3103348 1 6.85
CHEMBL3103332 1 6.80
CHEMBL3103363 1 6.46
CHEMBL3103335 1 6.46
CHEMBL3103324 1 6.46
CHEMBL3103362 1 6.44
CHEMBL3103323 1 6.34
CHEMBL3103336 1 6.32
CHEMBL1418164 1 6.30
CHEMBL3103333 1 6.28
CHEMBL3103356 1 6.24
CHEMBL3103345 1 6.18
CHEMBL3103359 1 6.16
CHEMBL3103358 1 5.64
CHEMBL3103344 1 5.54
CHEMBL3103328 1 5.43
CHEMBL1545268 1 5.42
CHEMBL3103365 1 5.31
CHEMBL3103360 1 5.28
CHEMBL3103355 1 5.26
CHEMBL1447127 1 5.21
CHEMBL3103341 1 5.04
CHEMBL3103357 1 4.92
CHEMBL3103340 1 4.90

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3103330 IC50 = 25.0 nM 7.60
CHEMBL3103349 IC50 = 67.0 nM 7.17
CHEMBL3103346 IC50 = 68.0 nM 7.17
CHEMBL3103334 IC50 = 100.0 nM 7.00
CHEMBL3103331 IC50 = 110.0 nM 6.96
CHEMBL3103347 IC50 = 110.0 nM 6.96
CHEMBL3103348 IC50 = 140.0 nM 6.85
CHEMBL3103332 IC50 = 160.0 nM 6.80
CHEMBL3103363 IC50 = 350.0 nM 6.46
CHEMBL3103335 IC50 = 350.0 nM 6.46
CHEMBL3103324 IC50 = 350.0 nM 6.46
CHEMBL3103362 IC50 = 360.0 nM 6.44
CHEMBL3103323 IC50 = 460.0 nM 6.34
CHEMBL3103336 IC50 = 480.0 nM 6.32
CHEMBL1418164 IC50 = 500.0 nM 6.30
CHEMBL3103333 IC50 = 530.0 nM 6.28
CHEMBL3103356 IC50 = 570.0 nM 6.24
CHEMBL3103345 IC50 = 660.0 nM 6.18
CHEMBL3103359 IC50 = 700.0 nM 6.16
CHEMBL3103358 IC50 = 2300.0 nM 5.64
CHEMBL3103344 IC50 = 2900.0 nM 5.54
CHEMBL3103328 IC50 = 3700.0 nM 5.43
CHEMBL1545268 IC50 = 3800.0 nM 5.42
CHEMBL3103365 IC50 = 4900.0 nM 5.31
CHEMBL3103360 IC50 = 5300.0 nM 5.28
CHEMBL3103355 IC50 = 5520.0 nM 5.26
CHEMBL1447127 IC50 = 6100.0 nM 5.21
CHEMBL3103341 IC50 = 9100.0 nM 5.04
CHEMBL3103357 IC50 = 12100.0 nM 4.92
CHEMBL3103340 IC50 = 12600.0 nM 4.90
CHEMBL1865699 IC50 = 20300.0 nM 4.69
CHEMBL3103322 IC50 = 21900.0 nM 4.66
CHEMBL3103327 IC50 = 30000.0 nM 4.52
CHEMBL3103354 IC50 > 30000.0 nM -
CHEMBL3103329 IC50 > 30000.0 nM -
CHEMBL3102863 IC50 > 30000.0 nM -
CHEMBL3103337 IC50 > 30000.0 nM -
CHEMBL3103338 IC50 > 30000.0 nM -
CHEMBL1608134 IC50 > 30000.0 nM -
CHEMBL3103351 IC50 > 30000.0 nM -
CHEMBL3103339 IC50 > 30000.0 nM -
CHEMBL1499626 IC50 > 30000.0 nM -
CHEMBL3103361 IC50 > 30000.0 nM -
CHEMBL3103342 IC50 > 30000.0 nM -
CHEMBL3103343 IC50 > 30000.0 nM -
CHEMBL3103320 IC50 > 30000.0 nM -
CHEMBL3103321 IC50 > 30000.0 nM -
CHEMBL3103325 IC50 > 30000.0 nM -
CHEMBL3103326 IC50 > 30000.0 nM -
CHEMBL3103364 IC50 > 30000.0 nM -