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Assay Detail

CHEMBL822825

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

Binding
Inhibition of specific binding of [3H]gabapentin to Gabapentin binding sites located on the alpha-2-delta subunit of calcium channel.
24
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Oryctolagus cuniculus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Identification of novel ligands for the gabapentin binding site on the alpha2delta subunit of a calcium channel and their evaluation as anticonvulsant agents.
Bryans JS, Davies N, Gee NS, Dissanayake VU, Ratcliffe GS, Horwell DC, Kneen CO, Morrell AI, Oles RJ, O'Toole JC, Perkins GM, Singh L, Suman-Chauhan N, O'Neill JA.
J Med Chem (1998) 41 : 1838 -1845
PubMed 9599234 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 6.20 7.38

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL553506 1 7.38
CHEMBL554650 1 7.14
CHEMBL940 GABAPENTIN 4.0 1 6.85
CHEMBL543088 2 6.85
CHEMBL538236 1 6.55
CHEMBL543321 1 6.42
CHEMBL537990 1 6.36
CHEMBL538003 1 6.16
CHEMBL537998 1 6.06
CHEMBL3216409 1 5.89
CHEMBL543560 1 5.88
CHEMBL542374 1 5.62
CHEMBL3216854 1 5.48
CHEMBL541295 1 5.20
CHEMBL543564 1 5.15
CHEMBL539515 1 -
CHEMBL542851 1 -
CHEMBL3215738 1 -
CHEMBL540785 1 -
CHEMBL3215976 1 -
CHEMBL540534 1 -
CHEMBL3215991 1 -
CHEMBL554652 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL553506 IC50 = 42.0 nM 7.38
CHEMBL554650 IC50 = 73.0 nM 7.14
CHEMBL940 GABAPENTIN IC50 = 140.0 nM 6.85
CHEMBL543088 IC50 = 140.0 nM 6.85
CHEMBL538236 IC50 = 280.0 nM 6.55
CHEMBL543321 IC50 = 385.0 nM 6.42
CHEMBL537990 IC50 = 440.0 nM 6.36
CHEMBL538003 IC50 = 700.0 nM 6.16
CHEMBL537998 IC50 = 880.0 nM 6.06
CHEMBL3216409 IC50 = 1300.0 nM 5.89
CHEMBL543560 IC50 = 1312.0 nM 5.88
CHEMBL542374 IC50 = 2380.0 nM 5.62
CHEMBL3216854 IC50 = 3300.0 nM 5.48
CHEMBL541295 IC50 = 6270.0 nM 5.20
CHEMBL543564 IC50 = 7020.0 nM 5.15
CHEMBL539515 IC50 > 10000.0 nM -
CHEMBL542851 IC50 > 10000.0 nM -
CHEMBL3215738 IC50 > 10000.0 nM -
CHEMBL540785 IC50 > 10000.0 nM -
CHEMBL543088 IC50 > 10000.0 nM -
CHEMBL3215976 IC50 > 10000.0 nM -
CHEMBL540534 IC50 > 10000.0 nM -
CHEMBL3215991 IC50 > 10000.0 nM -
CHEMBL554652 IC50 > 10000.0 nM -