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Assay Detail

CHEMBL911129

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

Binding
Inhibition of [3H]NE uptake into human NET expressing HEK293 cells
ChEMBL ↗
54
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type HEK293
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Sodium-dependent noradrenaline transporter (CHEMBL222) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter.
Froimowitz M, Gu Y, Dakin LA, Nagafuji PM, Kelley CJ, Parrish D, Deschamps JR, Janowsky A.
J Med Chem (2007) 50 : 219 -232
PubMed 17228864 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 54 6.66 8.09

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL219649 — — 2 8.09
CHEMBL218999 — — 2 8.05
CHEMBL220195 — — 2 8.00
CHEMBL219116 — — 2 7.96
CHEMBL219335 — — 2 7.85
CHEMBL218849 — — 2 7.58
CHEMBL374634 — — 2 7.57
CHEMBL387117 — — 2 7.55
CHEMBL219224 — — 2 7.46
CHEMBL375118 — — 2 7.36
CHEMBL219703 — — 2 7.31
CHEMBL218847 — — 2 7.30
CHEMBL218848 — — 1 7.29
CHEMBL796 METHYLPHENIDATE 4.0 1 7.21
CHEMBL220247 — — 2 6.92
CHEMBL376852 — — 2 6.68
CHEMBL370805 COCAINE 4.0 1 6.68
CHEMBL373710 — — 2 6.68
CHEMBL219540 — — 1 6.66
CHEMBL219653 — — 2 6.51
CHEMBL217975 — — 2 6.48
CHEMBL219334 — — 2 6.48
CHEMBL218894 — — 2 6.39
CHEMBL374769 — — 2 6.28
CHEMBL441864 — — 2 6.22
CHEMBL219281 — — 2 6.21
CHEMBL219707 — — 2 6.03
CHEMBL373773 — — 2 5.54
CHEMBL218193 — — 2 5.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL219649 — IC50 = 8.1 nM 8.09
CHEMBL218999 — IC50 = 9.0 nM 8.05
CHEMBL220195 — IC50 = 10.0 nM 8.00
CHEMBL219116 — IC50 = 11.0 nM 7.96
CHEMBL219335 — IC50 = 14.0 nM 7.85
CHEMBL218999 — IC50 = 19.0 nM 7.72
CHEMBL218849 — IC50 = 26.0 nM 7.58
CHEMBL374634 — IC50 = 27.0 nM 7.57
CHEMBL387117 — IC50 = 28.0 nM 7.55
CHEMBL219224 — IC50 = 35.0 nM 7.46
CHEMBL375118 — IC50 = 44.0 nM 7.36
CHEMBL219649 — IC50 = 47.0 nM 7.33
CHEMBL219703 — IC50 = 49.0 nM 7.31
CHEMBL218847 — IC50 = 50.0 nM 7.30
CHEMBL218848 — IC50 = 51.0 nM 7.29
CHEMBL796 METHYLPHENIDATE IC50 = 61.0 nM 7.21
CHEMBL374634 — IC50 = 63.0 nM 7.20
CHEMBL219335 — IC50 = 73.0 nM 7.14
CHEMBL387117 — IC50 = 100.0 nM 7.00
CHEMBL220247 — IC50 = 120.0 nM 6.92
CHEMBL218849 — IC50 = 180.0 nM 6.75
CHEMBL220195 — IC50 = 190.0 nM 6.72
CHEMBL218847 — IC50 = 200.0 nM 6.70
CHEMBL373710 — IC50 = 210.0 nM 6.68
CHEMBL370805 COCAINE IC50 = 210.0 nM 6.68
CHEMBL376852 — IC50 = 210.0 nM 6.68
CHEMBL219540 — IC50 = 220.0 nM 6.66
CHEMBL219653 — IC50 = 310.0 nM 6.51
CHEMBL219334 — IC50 = 330.0 nM 6.48
CHEMBL217975 — IC50 = 330.0 nM 6.48
CHEMBL218894 — IC50 = 410.0 nM 6.39
CHEMBL374769 — IC50 = 520.0 nM 6.28
CHEMBL441864 — IC50 = 600.0 nM 6.22
CHEMBL219281 — IC50 = 610.0 nM 6.21
CHEMBL219281 — IC50 = 680.0 nM 6.17
CHEMBL219653 — IC50 = 730.0 nM 6.14
CHEMBL374769 — IC50 = 730.0 nM 6.14
CHEMBL220247 — IC50 = 750.0 nM 6.12
CHEMBL219703 — IC50 = 860.0 nM 6.07
CHEMBL219707 — IC50 = 940.0 nM 6.03
CHEMBL375118 — IC50 = 1000.0 nM 6.00
CHEMBL376852 — IC50 = 1300.0 nM 5.89
CHEMBL219116 — IC50 = 1400.0 nM 5.85
CHEMBL217975 — IC50 = 1400.0 nM 5.85
CHEMBL218894 — IC50 = 1600.0 nM 5.80
CHEMBL441864 — IC50 = 1700.0 nM 5.77
CHEMBL219707 — IC50 = 1700.0 nM 5.77
CHEMBL373773 — IC50 = 2900.0 nM 5.54
CHEMBL373710 — IC50 = 3000.0 nM 5.52
CHEMBL219224 — IC50 = 3200.0 nM 5.50