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Assay Detail

CHEMBL2050134

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

Binding
Displacement of [3H]vesamicol from human VAChT expressed in rat PC12 cells after 24 hrs by liquid scintillation counting
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type PC-12
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Vesicular acetylcholine transporter (CHEMBL4767)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and evaluation of in vitro bioactivity for vesicular acetylcholine transporter inhibitors containing two carbonyl groups.
Tu Z, Wang W, Cui J, Zhang X, Lu X, Xu J, Parsons SM.
Bioorg Med Chem (2012) 20 : 4422 -4429
PubMed 22739089 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 19 6.60 7.99

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2047236 1 7.99
CHEMBL2047126 1 7.94
CHEMBL20730 VESAMICOL 1 7.82
CHEMBL2047232 1 7.81
CHEMBL2047234 1 7.72
CHEMBL2047122 1 7.20
CHEMBL2047233 1 6.95
CHEMBL2047124 1 6.91
CHEMBL2047235 1 6.85
CHEMBL2047239 1 6.69
CHEMBL2047127 1 6.63
CHEMBL2047123 1 6.09
CHEMBL2047125 1 5.92
CHEMBL2047237 1 5.89
CHEMBL2047240 1 5.87
CHEMBL2047238 1 5.70
CHEMBL2047128 1 5.52
CHEMBL2047120 1 5.06
CHEMBL2047121 1 4.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2047236 Ki = 10.2 nM 7.99
CHEMBL2047126 Ki = 11.4 nM 7.94
CHEMBL20730 VESAMICOL Ki = 15.2 nM 7.82
CHEMBL2047232 Ki = 15.4 nM 7.81
CHEMBL2047234 Ki = 19.0 nM 7.72
CHEMBL2047122 Ki = 62.7 nM 7.20
CHEMBL2047233 Ki = 112.0 nM 6.95
CHEMBL2047124 Ki = 123.0 nM 6.91
CHEMBL2047235 Ki = 142.0 nM 6.85
CHEMBL2047239 Ki = 206.0 nM 6.69
CHEMBL2047127 Ki = 233.0 nM 6.63
CHEMBL2047123 Ki = 810.0 nM 6.09
CHEMBL2047125 Ki = 1190.0 nM 5.92
CHEMBL2047237 Ki = 1300.0 nM 5.89
CHEMBL2047240 Ki = 1350.0 nM 5.87
CHEMBL2047238 Ki = 2020.0 nM 5.70
CHEMBL2047128 Ki = 3020.0 nM 5.52
CHEMBL2047120 Ki = 8700.0 nM 5.06
CHEMBL2047121 Ki = 13000.0 nM 4.89