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Assay Detail

CHEMBL4828546

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

Binding
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation counting method
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Subcellular Cell membrane
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

D(3) dopamine receptor (CHEMBL234)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure Activity Relationships for a Series of Eticlopride-Based Dopamine D<sub>2</sub>/D<sub>3</sub> Receptor Bitopic Ligands.
Shaik AB, Boateng CA, Battiti FO, Bonifazi A, Cao J, Chen L, Chitsazi R, Ravi S, Lee KH, Shi L, Newman AH.
J Med Chem (2021) 64 : 15313 -15333
PubMed 34636551 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 25 8.29 9.97

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL8946 ETICLOPRIDE 2.0 1 9.97
CHEMBL4865434 1 9.55
CHEMBL4861573 1 9.37
CHEMBL4873313 1 9.36
CHEMBL4864320 1 9.35
CHEMBL4850300 1 9.31
CHEMBL4846561 1 9.30
CHEMBL4860478 1 9.10
CHEMBL4847432 1 9.09
CHEMBL4856983 1 9.00
CHEMBL4853568 1 8.96
CHEMBL1112 ARIPIPRAZOLE 4.0 1 8.63
CHEMBL4868595 1 8.58
CHEMBL4849107 1 8.16
CHEMBL4858961 1 7.84
CHEMBL4853938 1 7.81
CHEMBL4871669 1 7.72
CHEMBL4864366 1 7.69
CHEMBL4858824 1 7.54
CHEMBL4876353 1 7.30
CHEMBL4871811 1 7.21
CHEMBL4875195 1 7.00
CHEMBL4862405 1 6.55
CHEMBL4869151 1 6.50
CHEMBL4868275 1 6.37

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL8946 ETICLOPRIDE Ki = 0.107 nM 9.97
CHEMBL4865434 Ki = 0.281 nM 9.55
CHEMBL4861573 Ki = 0.431 nM 9.37
CHEMBL4873313 Ki = 0.436 nM 9.36
CHEMBL4864320 Ki = 0.444 nM 9.35
CHEMBL4850300 Ki = 0.493 nM 9.31
CHEMBL4846561 Ki = 0.499 nM 9.30
CHEMBL4860478 Ki = 0.797 nM 9.10
CHEMBL4847432 Ki = 0.815 nM 9.09
CHEMBL4856983 Ki = 1.01 nM 9.00
CHEMBL4853568 Ki = 1.1 nM 8.96
CHEMBL1112 ARIPIPRAZOLE Ki = 2.34 nM 8.63
CHEMBL4868595 Ki = 2.63 nM 8.58
CHEMBL4849107 Ki = 6.97 nM 8.16
CHEMBL4858961 Ki = 14.3 nM 7.84
CHEMBL4853938 Ki = 15.4 nM 7.81
CHEMBL4871669 Ki = 19.2 nM 7.72
CHEMBL4864366 Ki = 20.4 nM 7.69
CHEMBL4858824 Ki = 28.7 nM 7.54
CHEMBL4876353 Ki = 50.3 nM 7.30
CHEMBL4871811 Ki = 61.1 nM 7.21
CHEMBL4875195 Ki = 100.0 nM 7.00
CHEMBL4862405 Ki = 283.0 nM 6.55
CHEMBL4869151 Ki = 314.0 nM 6.50
CHEMBL4868275 Ki = 426.0 nM 6.37