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Assay Detail

CHEMBL911125

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

Binding
Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells
ChEMBL ↗
55
Total Activities
29
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 Expert

Target

Sodium-dependent dopamine transporter (CHEMBL238) ↗
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 55 6.98 8.55

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL219335 — — 2 8.55
CHEMBL219649 — — 2 8.35
CHEMBL218999 — — 2 8.26
CHEMBL374634 — — 2 8.24
CHEMBL218847 — — 2 8.13
CHEMBL218849 — — 2 8.09
CHEMBL220247 — — 2 8.07
CHEMBL219116 — — 2 7.96
CHEMBL387117 — — 2 7.89
CHEMBL373710 — — 2 7.85
CHEMBL219653 — — 2 7.68
CHEMBL219224 — — 2 7.66
CHEMBL376852 — — 2 7.64
CHEMBL220195 — — 2 7.64
CHEMBL218894 — — 2 7.60
CHEMBL375118 — — 2 7.57
CHEMBL218848 — — 2 7.50
CHEMBL217975 — — 2 7.46
CHEMBL219703 — — 2 7.35
CHEMBL374769 — — 2 7.22
CHEMBL796 METHYLPHENIDATE 4.0 1 7.10
CHEMBL219281 — — 2 6.80
CHEMBL219540 — — 1 6.72
CHEMBL219707 — — 2 6.64
CHEMBL219334 — — 2 6.62
CHEMBL370805 COCAINE 4.0 1 6.62
CHEMBL441864 — — 2 6.54
CHEMBL373773 — — 2 6.43
CHEMBL218193 — — 2 5.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL219335 — IC50 = 2.8 nM 8.55
CHEMBL219649 — IC50 = 4.5 nM 8.35
CHEMBL218999 — IC50 = 5.5 nM 8.26
CHEMBL374634 — IC50 = 5.7 nM 8.24
CHEMBL218847 — IC50 = 7.4 nM 8.13
CHEMBL218849 — IC50 = 8.2 nM 8.09
CHEMBL220247 — IC50 = 8.6 nM 8.07
CHEMBL219116 — IC50 = 11.0 nM 7.96
CHEMBL218999 — IC50 = 13.0 nM 7.89
CHEMBL387117 — IC50 = 13.0 nM 7.89
CHEMBL373710 — IC50 = 14.0 nM 7.85
CHEMBL219653 — IC50 = 21.0 nM 7.68
CHEMBL219224 — IC50 = 22.0 nM 7.66
CHEMBL220195 — IC50 = 23.0 nM 7.64
CHEMBL376852 — IC50 = 23.0 nM 7.64
CHEMBL218894 — IC50 = 25.0 nM 7.60
CHEMBL375118 — IC50 = 27.0 nM 7.57
CHEMBL218848 — IC50 = 32.0 nM 7.50
CHEMBL217975 — IC50 = 35.0 nM 7.46
CHEMBL387117 — IC50 = 45.0 nM 7.35
CHEMBL219703 — IC50 = 45.0 nM 7.35
CHEMBL374769 — IC50 = 60.0 nM 7.22
CHEMBL374634 — IC50 = 67.0 nM 7.17
CHEMBL796 METHYLPHENIDATE IC50 = 79.0 nM 7.10
CHEMBL219335 — IC50 = 88.0 nM 7.06
CHEMBL219649 — IC50 = 88.0 nM 7.06
CHEMBL217975 — IC50 = 140.0 nM 6.85
CHEMBL219281 — IC50 = 160.0 nM 6.80
CHEMBL218849 — IC50 = 170.0 nM 6.77
CHEMBL219653 — IC50 = 180.0 nM 6.75
CHEMBL219540 — IC50 = 190.0 nM 6.72
CHEMBL219707 — IC50 = 230.0 nM 6.64
CHEMBL219334 — IC50 = 240.0 nM 6.62
CHEMBL375118 — IC50 = 240.0 nM 6.62
CHEMBL370805 COCAINE IC50 = 240.0 nM 6.62
CHEMBL441864 — IC50 = 290.0 nM 6.54
CHEMBL373773 — IC50 = 370.0 nM 6.43
CHEMBL220247 — IC50 = 380.0 nM 6.42
CHEMBL373773 — IC50 = 390.0 nM 6.41
CHEMBL218894 — IC50 = 400.0 nM 6.40
CHEMBL219707 — IC50 = 410.0 nM 6.39
CHEMBL219281 — IC50 = 420.0 nM 6.38
CHEMBL218847 — IC50 = 450.0 nM 6.35
CHEMBL219703 — IC50 = 650.0 nM 6.19
CHEMBL374769 — IC50 = 670.0 nM 6.17
CHEMBL373710 — IC50 = 680.0 nM 6.17
CHEMBL220195 — IC50 = 800.0 nM 6.10
CHEMBL218848 — IC50 = 990.0 nM 6.00
CHEMBL219334 — IC50 = 1200.0 nM 5.92
CHEMBL441864 — IC50 = 1400.0 nM 5.85