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Assay Detail

CHEMBL3379356

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

Binding
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting
21
Total Activities
21
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293E
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sodium-dependent noradrenaline transporter (CHEMBL222)
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 19 7.65 8.89
Ki 2 7.30 8.12

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3323173 1 8.89
CHEMBL3323089 1 8.59
CHEMBL3323178 1 8.54
CHEMBL3323174 1 8.30
CHEMBL3323090 1 8.28
CHEMBL3323175 1 8.26
CHEMBL3323101 1 8.22
CHEMBL3323088 1 8.12
CHEMBL3323096 1 8.00
CHEMBL3323092 1 7.82
CHEMBL3323093 1 7.66
CHEMBL3323183 1 7.64
CHEMBL3323099 1 7.28
CHEMBL3323094 1 7.16
CHEMBL3323185 1 6.96
CHEMBL3323097 1 6.89
CHEMBL796 METHYLPHENIDATE 4.0 1 6.47
CHEMBL3323095 1 6.46
CHEMBL3323187 1 5.04
CHEMBL3323091 1 -
CHEMBL3323179 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3323173 IC50 = 1.3 nM 8.89
CHEMBL3323089 IC50 = 2.6 nM 8.59
CHEMBL3323178 IC50 = 2.9 nM 8.54
CHEMBL3323174 IC50 = 5.0 nM 8.30
CHEMBL3323090 IC50 = 5.2 nM 8.28
CHEMBL3323175 IC50 = 5.5 nM 8.26
CHEMBL3323101 IC50 = 6.0 nM 8.22
CHEMBL3323088 Ki = 7.6 nM 8.12
CHEMBL3323096 IC50 = 10.0 nM 8.00
CHEMBL3323092 IC50 = 15.0 nM 7.82
CHEMBL3323093 IC50 = 22.0 nM 7.66
CHEMBL3323183 IC50 = 23.0 nM 7.64
CHEMBL3323099 IC50 = 52.0 nM 7.28
CHEMBL3323094 IC50 = 69.0 nM 7.16
CHEMBL3323185 IC50 = 110.0 nM 6.96
CHEMBL3323097 IC50 = 130.0 nM 6.89
CHEMBL796 METHYLPHENIDATE Ki = 340.0 nM 6.47
CHEMBL3323095 IC50 = 350.0 nM 6.46
CHEMBL3323187 IC50 = 9100.0 nM 5.04
CHEMBL3323091 IC50 < 1.0 nM -
CHEMBL3323179 IC50 < 3.0 nM -