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Assay Detail

CHEMBL904957

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

Binding
Inhibition of [3H]DA uptake at DAT in Sprague-Dawley rat striatum
32
Total Activities
32
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Tissue Striatum
Confidence 9 — Direct single protein target
Curated By Expert

Target

Sodium-dependent dopamine transporter (CHEMBL338)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.
Kim DI, Deutsch HM, Ye X, Schweri MM.
J Med Chem (2007) 50 : 2718 -2731
PubMed 17489581 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 32 6.21 8.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL54134 1 8.15
CHEMBL556365 1 7.96
CHEMBL537653 1 7.65
CHEMBL537874 1 7.21
CHEMBL559186 1 7.06
CHEMBL904 DEXMETHYLPHENIDATE HYDROCHLORIDE 4.0 1 6.64
CHEMBL541896 1 6.61
CHEMBL537206 1 6.61
CHEMBL537431 1 6.55
CHEMBL537654 1 6.50
CHEMBL541895 1 6.43
CHEMBL529437 COCAINE HYDROCHLORIDE 4.0 1 6.39
CHEMBL557356 1 6.17
CHEMBL556366 1 5.97
CHEMBL537429 1 5.90
CHEMBL537209 1 5.82
CHEMBL1203942 1 5.73
CHEMBL534500 1 5.58
CHEMBL537430 1 5.10
CHEMBL541898 1 5.07
CHEMBL534502 1 5.06
CHEMBL553859 1 4.98
CHEMBL553921 1 4.97
CHEMBL541134 1 4.91
CHEMBL537652 1 -
CHEMBL558394 1 -
CHEMBL558182 1 -
CHEMBL540625 1 -
CHEMBL534501 1 -
CHEMBL553714 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL54134 IC50 = 7.0 nM 8.15
CHEMBL556365 IC50 = 11.0 nM 7.96
CHEMBL537653 IC50 = 22.5 nM 7.65
CHEMBL537874 IC50 = 61.0 nM 7.21
CHEMBL559186 IC50 = 87.6 nM 7.06
CHEMBL904 DEXMETHYLPHENIDATE HYDROCHLORIDE IC50 = 230.0 nM 6.64
CHEMBL541896 IC50 = 248.0 nM 6.61
CHEMBL537206 IC50 = 244.0 nM 6.61
CHEMBL537431 IC50 = 281.0 nM 6.55
CHEMBL537654 IC50 = 317.0 nM 6.50
CHEMBL541895 IC50 = 368.0 nM 6.43
CHEMBL529437 COCAINE HYDROCHLORIDE IC50 = 404.0 nM 6.39
CHEMBL557356 IC50 = 680.0 nM 6.17
CHEMBL556366 IC50 = 1060.0 nM 5.97
CHEMBL537429 IC50 = 1260.0 nM 5.90
CHEMBL537209 IC50 = 1520.0 nM 5.82
CHEMBL1203942 IC50 = 1850.0 nM 5.73
CHEMBL534500 IC50 = 2660.0 nM 5.58
CHEMBL537430 IC50 = 7960.0 nM 5.10
CHEMBL541898 IC50 = 8490.0 nM 5.07
CHEMBL534502 IC50 = 8800.0 nM 5.06
CHEMBL553859 IC50 = 10400.0 nM 4.98
CHEMBL553921 IC50 = 10700.0 nM 4.97
CHEMBL541134 IC50 = 12400.0 nM 4.91
CHEMBL537652 IC50 - -
CHEMBL558394 IC50 - -
CHEMBL558182 IC50 - -
CHEMBL540625 IC50 - -
CHEMBL534501 IC50 - -
CHEMBL553714 IC50 - -
CHEMBL558395 IC50 - -
CHEMBL537875 IC50 - -