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Assay Detail

CHEMBL1014616

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

Binding
Displacement of [3H]gabapentin from alpha2-delta subunit of voltage gated calcium channel in pig brain membrane
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Sus scrofa
Tissue Brain
Subcellular Membrane
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Oxadiazolone bioisosteres of pregabalin and gabapentin.
Wustrow DJ, Belliotti TR, Capiris T, Kneen CO, Bryans JS, Field MJ, Williams D, El-Kattan A, Buchholz L, Kinsora JJ, Lotarski SM, Vartanian MG, Taylor CP, Donevan SD, Thorpe AJ, Schwarz JB.
Bioorg Med Chem Lett (2009) 19 : 247 -250
PubMed 19010672 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 6.60 7.16

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL940 GABAPENTIN 4.0 1 7.16
CHEMBL464046 1 7.16
CHEMBL1059 PREGABALIN 4.0 1 7.10
CHEMBL464045 1 7.08
CHEMBL258019 1 7.00
CHEMBL442646 1 6.80
CHEMBL404384 1 6.68
CHEMBL452981 1 5.94
CHEMBL444244 1 5.82
CHEMBL464044 1 5.25
CHEMBL378431 1 -
CHEMBL507012 1 -
CHEMBL464908 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL940 GABAPENTIN IC50 = 70.0 nM 7.16
CHEMBL464046 IC50 = 70.0 nM 7.16
CHEMBL1059 PREGABALIN IC50 = 80.0 nM 7.10
CHEMBL464045 IC50 = 84.0 nM 7.08
CHEMBL258019 IC50 = 100.0 nM 7.00
CHEMBL442646 IC50 = 158.0 nM 6.80
CHEMBL404384 IC50 = 210.0 nM 6.68
CHEMBL452981 IC50 = 1140.0 nM 5.94
CHEMBL444244 IC50 = 1500.0 nM 5.82
CHEMBL464044 IC50 = 5600.0 nM 5.25
CHEMBL378431 IC50 > 10000.0 nM -
CHEMBL507012 IC50 > 10000.0 nM -
CHEMBL464908 IC50 > 10000.0 nM -