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Assay Detail

CHEMBL2389183

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

Binding
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis
14
Total Activities
9
Compounds Tested
2
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

Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor.
Dreyfus N, Myers JK, Badescu VO, de Frutos O, de la Puente ML, Ding C, Filla SA, Fynboe K, Gernert DL, Heinz BA, Hemrick-Luecke SK, Johnson KW, Johnson MP, López P, Love PL, Martin LJ, Masquelin T, McCoy MJ, Mendiola J, Morrow D, Muhlhauser M, Pascual G, Perun TJ, Pfeifer LA, Phebus LA, Richards SJ, Rincón JA, Seest EP, Shah J, Shaojuan J, Simmons RM, Stephenson GA, Tromiczak EG, Thompson LK, Walter MW, Weber WW, Zarrinmayeh H, Thomas CE, Joshi E, Iyengar S, Johansson AM.
ACS Med Chem Lett (2013) 4 : 560 -564
PubMed 24900709 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 9 8.97 9.68
IC50 5 8.20 8.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2386163 2 9.68
CHEMBL2386164 1 9.64
CHEMBL1175 DULOXETINE 4.0 2 9.62
CHEMBL2386166 1 9.12
CHEMBL2386165 1 9.08
CHEMBL2386162 1 8.72
CHEMBL259209 MILNACIPRAN 4.0 2 8.19
CHEMBL637 VENLAFAXINE 4.0 2 7.96
CHEMBL1118 DESVENLAFAXINE 4.0 2 7.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2386163 Ki = 0.21 nM 9.68
CHEMBL2386163 Ki = 0.22 nM 9.66
CHEMBL2386164 Ki = 0.23 nM 9.64
CHEMBL1175 DULOXETINE Ki = 0.24 nM 9.62
CHEMBL2386166 Ki = 0.75 nM 9.12
CHEMBL2386165 Ki = 0.84 nM 9.08
CHEMBL2386162 IC50 = 1.9 nM 8.72
CHEMBL1175 DULOXETINE IC50 = 2.3 nM 8.64
CHEMBL259209 MILNACIPRAN Ki = 6.5 nM 8.19
CHEMBL637 VENLAFAXINE Ki = 11.0 nM 7.96
CHEMBL1118 DESVENLAFAXINE Ki = 15.0 nM 7.82
CHEMBL1118 DESVENLAFAXINE IC50 = 17.0 nM 7.77
CHEMBL259209 MILNACIPRAN IC50 = 22.0 nM 7.66
CHEMBL637 VENLAFAXINE IC50 > 20.0 nM -