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Assay Detail

CHEMBL4202144

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

Binding
Displacement of [3H](+)-syn-Ethyl 1-(2-(2,4-Dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-fluorophenyl)piperidine-3-carboxylate from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
20
Total Activities
19
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

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

Target

Synaptic vesicular amine transporter (CHEMBL1893)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and Discovery of Arylpiperidinylquinazolines: New Inhibitors of the Vesicular Monoamine Transporter.
Provencher BA, Eshleman AJ, Johnson RA, Shi X, Kryatova O, Nelson J, Tian J, Gonzalez M, Meltzer PC, Janowsky A.
J Med Chem (2018) 61 : 9121 -9131
PubMed 30240563 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 19 5.99 6.79
Kd 1 7.03 7.03

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4205254 2 7.03
CHEMBL4202787 1 6.79
CHEMBL4207658 1 6.54
CHEMBL4208779 1 6.46
CHEMBL772 RESERPINE 4.0 1 6.39
CHEMBL4216117 1 6.34
CHEMBL4213176 1 6.16
CHEMBL4203894 1 6.14
CHEMBL4208250 1 6.05
CHEMBL4214975 1 5.94
CHEMBL51 KETANSERIN 3.0 1 5.92
CHEMBL4217581 1 5.78
CHEMBL122270 LOBELINE 2.0 1 5.71
CHEMBL213814 1 5.71
CHEMBL4204449 1 5.71
CHEMBL39 SEROTONIN 3.0 1 5.64
CHEMBL4212633 1 5.42
CHEMBL508 1 4.61
CHEMBL4206824 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4205254 Kd = 93.0 nM 7.03
CHEMBL4202787 Ki = 161.0 nM 6.79
CHEMBL4205254 Ki = 290.0 nM 6.54
CHEMBL4207658 Ki = 287.0 nM 6.54
CHEMBL4208779 Ki = 350.0 nM 6.46
CHEMBL772 RESERPINE Ki = 410.0 nM 6.39
CHEMBL4216117 Ki = 452.0 nM 6.34
CHEMBL4213176 Ki = 700.0 nM 6.16
CHEMBL4203894 Ki = 720.0 nM 6.14
CHEMBL4208250 Ki = 900.0 nM 6.05
CHEMBL4214975 Ki = 1150.0 nM 5.94
CHEMBL51 KETANSERIN Ki = 1190.0 nM 5.92
CHEMBL4217581 Ki = 1660.0 nM 5.78
CHEMBL122270 LOBELINE Ki = 1950.0 nM 5.71
CHEMBL213814 Ki = 1932.0 nM 5.71
CHEMBL4204449 Ki = 1960.0 nM 5.71
CHEMBL39 SEROTONIN Ki = 2290.0 nM 5.64
CHEMBL4212633 Ki = 3770.0 nM 5.42
CHEMBL508 Ki = 24500.0 nM 4.61
CHEMBL4206824 Ki > 10000.0 nM -