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Assay Detail

CHEMBL863614

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

Binding
Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells
30
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Expert

Target

Sodium-dependent dopamine transporter (CHEMBL238)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors.
Fray MJ, Bish G, Fish PV, Stobie A, Wakenhut F, Whitlock GA.
Bioorg Med Chem Lett (2006) 16 : 4349 -4353
PubMed 16750363 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 30 5.75 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL384687 1 6.40
CHEMBL1175 DULOXETINE 4.0 1 6.06
CHEMBL214259 1 6.01
CHEMBL213287 1 5.89
CHEMBL534942 2 5.80
CHEMBL213785 1 5.80
CHEMBL214121 1 5.64
CHEMBL41 FLUOXETINE 4.0 1 5.36
CHEMBL378319 1 5.04
CHEMBL386224 1 -
CHEMBL214159 1 -
CHEMBL214395 1 -
CHEMBL378447 1 -
CHEMBL211412 1 -
CHEMBL213496 1 -
CHEMBL377189 1 -
CHEMBL210116 1 -
CHEMBL213030 1 -
CHEMBL214056 1 -
CHEMBL214004 1 -
CHEMBL377900 1 -
CHEMBL376952 1 -
CHEMBL213229 1 -
CHEMBL212878 1 -
CHEMBL14370 REBOXETINE 4.0 1 -
CHEMBL534723 1 -
CHEMBL425961 1 -
CHEMBL540107 1 -
CHEMBL211527 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL384687 IC50 = 400.0 nM 6.40
CHEMBL1175 DULOXETINE IC50 = 870.0 nM 6.06
CHEMBL214259 IC50 = 970.0 nM 6.01
CHEMBL213287 IC50 = 1300.0 nM 5.89
CHEMBL534942 IC50 = 1600.0 nM 5.80
CHEMBL213785 IC50 = 1600.0 nM 5.80
CHEMBL214121 IC50 = 2300.0 nM 5.64
CHEMBL534942 IC50 = 2900.0 nM 5.54
CHEMBL41 FLUOXETINE IC50 = 4400.0 nM 5.36
CHEMBL378319 IC50 = 9200.0 nM 5.04
CHEMBL214159 IC50 - -
CHEMBL214395 IC50 - -
CHEMBL378447 IC50 - -
CHEMBL211412 IC50 - -
CHEMBL213496 IC50 - -
CHEMBL377189 IC50 - -
CHEMBL210116 IC50 - -
CHEMBL213030 IC50 - -
CHEMBL214056 IC50 - -
CHEMBL214004 IC50 - -
CHEMBL386224 IC50 > 4000.0 nM -
CHEMBL376952 IC50 - -
CHEMBL377900 IC50 > 4000.0 nM -
CHEMBL212878 IC50 - -
CHEMBL213229 IC50 > 4000.0 nM -
CHEMBL534723 IC50 > 4000.0 nM -
CHEMBL14370 REBOXETINE IC50 > 25000.0 nM -
CHEMBL540107 IC50 > 4000.0 nM -
CHEMBL425961 IC50 - -
CHEMBL211527 IC50 > 4000.0 nM -