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Assay Detail

CHEMBL1024552

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

Binding
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells
42
Total Activities
34
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 Intermediate

Target

Sodium-dependent noradrenaline transporter (CHEMBL222)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: design, synthesis and structure-activity relationships.
Fish PV, Andrews MD, Jonathan Fray M, Stobie A, Wakenhut F, Whitlock GA.
Bioorg Med Chem Lett (2009) 19 : 2829 -2834
PubMed 19359175 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 42 7.45 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL562244 1 8.70
CHEMBL563030 2 8.52
CHEMBL1175 DULOXETINE 4.0 1 8.30
CHEMBL559456 3 8.22
CHEMBL550779 1 8.10
CHEMBL551573 2 8.05
CHEMBL549825 2 8.05
CHEMBL549761 1 7.89
CHEMBL563495 2 7.85
CHEMBL559081 3 7.85
CHEMBL541226 1 7.80
CHEMBL549965 1 7.64
CHEMBL550696 1 7.64
CHEMBL552046 1 7.64
CHEMBL563987 1 7.62
CHEMBL564100 1 7.52
CHEMBL563404 1 7.48
CHEMBL562691 1 7.46
CHEMBL562854 1 7.38
CHEMBL563852 1 7.35
CHEMBL556268 1 7.32
CHEMBL559654 1 7.08
CHEMBL550289 1 7.04
CHEMBL551556 1 6.97
CHEMBL150932 1 6.92
CHEMBL560049 1 6.67
CHEMBL551443 1 6.39
CHEMBL562444 1 5.31
CHEMBL564631 1 5.23
CHEMBL560050 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL562244 IC50 = 2.0 nM 8.70
CHEMBL563030 IC50 = 3.0 nM 8.52
CHEMBL1175 DULOXETINE IC50 = 5.0 nM 8.30
CHEMBL559456 IC50 = 6.0 nM 8.22
CHEMBL559456 IC50 = 7.0 nM 8.15
CHEMBL550779 IC50 = 8.0 nM 8.10
CHEMBL551573 IC50 = 9.0 nM 8.05
CHEMBL549825 IC50 = 9.0 nM 8.05
CHEMBL549761 IC50 = 13.0 nM 7.89
CHEMBL563030 IC50 = 13.0 nM 7.89
CHEMBL559081 IC50 = 14.0 nM 7.85
CHEMBL563495 IC50 = 14.0 nM 7.85
CHEMBL541226 IC50 = 16.0 nM 7.80
CHEMBL559081 IC50 = 17.0 nM 7.77
CHEMBL552046 IC50 = 23.0 nM 7.64
CHEMBL549965 IC50 = 23.0 nM 7.64
CHEMBL550696 IC50 = 23.0 nM 7.64
CHEMBL563987 IC50 = 24.0 nM 7.62
CHEMBL564100 IC50 = 30.0 nM 7.52
CHEMBL563404 IC50 = 33.0 nM 7.48
CHEMBL562691 IC50 = 35.0 nM 7.46
CHEMBL549825 IC50 = 35.0 nM 7.46
CHEMBL562854 IC50 = 42.0 nM 7.38
CHEMBL563495 IC50 = 43.0 nM 7.37
CHEMBL551573 IC50 = 44.0 nM 7.36
CHEMBL563852 IC50 = 45.0 nM 7.35
CHEMBL556268 IC50 = 48.0 nM 7.32
CHEMBL559654 IC50 = 84.0 nM 7.08
CHEMBL550289 IC50 = 91.0 nM 7.04
CHEMBL551556 IC50 = 106.0 nM 6.97
CHEMBL150932 IC50 = 120.0 nM 6.92
CHEMBL559456 IC50 = 128.0 nM 6.89
CHEMBL560049 IC50 = 215.0 nM 6.67
CHEMBL559081 IC50 = 220.0 nM 6.66
CHEMBL551443 IC50 = 404.0 nM 6.39
CHEMBL562444 IC50 = 4850.0 nM 5.31
CHEMBL564631 IC50 = 5850.0 nM 5.23
CHEMBL556888 IC50 > 400.0 nM -
CHEMBL562108 IC50 > 400.0 nM -
CHEMBL560050 IC50 > 400.0 nM -
CHEMBL551646 IC50 > 400.0 nM -
CHEMBL540978 IC50 > 400.0 nM -