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Assay Detail

CHEMBL3095436

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

Binding
Allosteric modulation at wild-type human SERT site S2 expressed in african green monkey COS7 cells assessed as inhibition of [3H]citalopram dissociation at 30 uM by scintillation counting analysis
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type COS-7
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sodium-dependent serotonin transporter (CHEMBL228)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (citalopram) analogues as novel probes for the serotonin transporter S1 and S2 binding sites.
Banala AK, Zhang P, Plenge P, Cyriac G, Kopajtic T, Katz JL, Loland CJ, Newman AH.
J Med Chem (2013) 56 : 9709 -9724
PubMed 24237160 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 8 5.37 5.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3094160 1 5.52
CHEMBL1215762 1 5.47
CHEMBL3094164 1 5.44
CHEMBL1508 ESCITALOPRAM 4.0 1 5.34
CHEMBL3094168 1 5.33
CHEMBL3094159 1 5.31
CHEMBL3094176 1 5.28
CHEMBL3094161 1 5.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3094160 IC50 = 3000.0 nM 5.52
CHEMBL1215762 IC50 = 3400.0 nM 5.47
CHEMBL3094164 IC50 = 3600.0 nM 5.44
CHEMBL1508 ESCITALOPRAM IC50 = 4600.0 nM 5.34
CHEMBL3094168 IC50 = 4700.0 nM 5.33
CHEMBL3094159 IC50 = 4900.0 nM 5.31
CHEMBL3094176 IC50 = 5300.0 nM 5.28
CHEMBL3094161 IC50 = 5800.0 nM 5.24