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Assay Detail

CHEMBL3379357

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

Binding
Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis
14
Total Activities
14
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 Autocuration

Target

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

Publication

Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors.
Liu S, Zha C, Nacro K, Hu M, Cui W, Yang YL, Bhatt U, Sambandam A, Isherwood M, Yet L, Herr MT, Ebeltoft S, Hassler C, Fleming L, Pechulis AD, Payen-Fornicola A, Holman N, Milanowski D, Cotterill I, Mozhaev V, Khmelnitsky Y, Guzzo PR, Sargent BJ, Molino BF, Olson R, King D, Lelas S, Li YW, Johnson K, Molski T, Orie A, Ng A, Haskell R, Clarke W, Bertekap R, O'Connell J, Lodge N, Sinz M, Adams S, Zaczek R, Macor JE.
ACS Med Chem Lett (2014) 5 : 760 -765
PubMed 25050161 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 7.77 8.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3323095 1 8.77
CHEMBL3323181 1 8.52
CHEMBL3323184 1 8.36
CHEMBL3323182 1 8.31
CHEMBL3323102 1 8.19
CHEMBL3323109 1 8.16
CHEMBL3323176 1 8.08
CHEMBL3323177 1 7.75
CHEMBL3323105 1 7.51
CHEMBL3323106 1 7.50
CHEMBL3323100 1 7.17
CHEMBL3323107 1 7.02
CHEMBL3323108 1 6.89
CHEMBL3323104 1 6.58

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3323095 IC50 = 1.7 nM 8.77
CHEMBL3323181 IC50 = 3.0 nM 8.52
CHEMBL3323184 IC50 = 4.4 nM 8.36
CHEMBL3323182 IC50 = 4.9 nM 8.31
CHEMBL3323102 IC50 = 6.4 nM 8.19
CHEMBL3323109 IC50 = 6.9 nM 8.16
CHEMBL3323176 IC50 = 8.4 nM 8.08
CHEMBL3323177 IC50 = 18.0 nM 7.75
CHEMBL3323105 IC50 = 31.0 nM 7.51
CHEMBL3323106 IC50 = 32.0 nM 7.50
CHEMBL3323100 IC50 = 68.0 nM 7.17
CHEMBL3323107 IC50 = 96.0 nM 7.02
CHEMBL3323108 IC50 = 130.0 nM 6.89
CHEMBL3323104 IC50 = 260.0 nM 6.58