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Assay Detail

CHEMBL1219686

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

Binding
Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Tissue Frontal cortex
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Transporter (CHEMBL6184)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters.
Zhang P, Cyriac G, Kopajtic T, Zhao Y, Javitch JA, Katz JL, Newman AH.
J Med Chem (2010) 53 : 6112 -6121
PubMed 20672825 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 24 5.08 5.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1214691 1 5.70
CHEMBL1214689 1 5.58
CHEMBL1215761 1 5.42
CHEMBL1214768 1 5.38
CHEMBL1214692 1 5.33
CHEMBL1214844 1 5.30
CHEMBL1215763 1 5.30
CHEMBL1214910 1 5.29
CHEMBL1214769 1 5.24
CHEMBL549 CITALOPRAM 4.0 1 5.22
CHEMBL1215759 1 5.21
CHEMBL1214771 1 5.14
CHEMBL1212960 1 5.12
CHEMBL1214907 1 5.08
CHEMBL1508 ESCITALOPRAM 4.0 1 4.98
CHEMBL1215762 1 4.94
CHEMBL1214842 1 4.92
CHEMBL1214690 1 4.90
CHEMBL1214909 1 4.78
CHEMBL1215760 1 4.77
CHEMBL1214908 1 4.67
CHEMBL1214770 1 4.60
CHEMBL1215695 1 4.55
CHEMBL1214843 1 4.49

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1214691 Ki = 2000.0 nM 5.70
CHEMBL1214689 Ki = 2610.0 nM 5.58
CHEMBL1215761 Ki = 3820.0 nM 5.42
CHEMBL1214768 Ki = 4200.0 nM 5.38
CHEMBL1214692 Ki = 4630.0 nM 5.33
CHEMBL1214844 Ki = 4980.0 nM 5.30
CHEMBL1215763 Ki = 4980.0 nM 5.30
CHEMBL1214910 Ki = 5190.0 nM 5.29
CHEMBL1214769 Ki = 5710.0 nM 5.24
CHEMBL549 CITALOPRAM Ki = 5950.0 nM 5.22
CHEMBL1215759 Ki = 6170.0 nM 5.21
CHEMBL1214771 Ki = 7160.0 nM 5.14
CHEMBL1212960 Ki = 7670.0 nM 5.12
CHEMBL1214907 Ki = 8410.0 nM 5.08
CHEMBL1508 ESCITALOPRAM Ki = 10500.0 nM 4.98
CHEMBL1215762 Ki = 11400.0 nM 4.94
CHEMBL1214842 Ki = 11900.0 nM 4.92
CHEMBL1214690 Ki = 12700.0 nM 4.90
CHEMBL1214909 Ki = 16800.0 nM 4.78
CHEMBL1215760 Ki = 16900.0 nM 4.77
CHEMBL1214908 Ki = 21600.0 nM 4.67
CHEMBL1214770 Ki = 25100.0 nM 4.60
CHEMBL1215695 Ki = 28400.0 nM 4.55
CHEMBL1214843 Ki = 32500.0 nM 4.49