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Assay Detail

CHEMBL4020668

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

Binding
Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain synaptosomal membranes after 1 hr by scintillation counting method
ChEMBL ↗
79
Total Activities
41
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Molecular Hybridization of Potent and Selective γ-Hydroxybutyric Acid (GHB) Ligands: Design, Synthesis, Binding Studies, and Molecular Modeling of Novel 3-Hydroxycyclopent-1-enecarboxylic Acid (HOCPCA) and trans-γ-Hydroxycrotonic Acid (T-HCA) Analogs.
Krall J, Jensen CH, Bavo F, Falk-Petersen CB, Haugaard AS, Vogensen SB, Tian Y, Nittegaard-Nielsen M, Sigurdardóttir SB, Kehler J, Kongstad KT, Gloriam DE, Clausen RP, Harpsøe K, Wellendorph P, Frølund B.
J Med Chem (2017) 60 : 9022 -9039
PubMed 29028338 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 79 5.52 7.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4099776 — — 2 7.64
CHEMBL4076730 — — 6 7.52
CHEMBL4089630 — — 2 7.43
CHEMBL4071834 — — 2 7.39
CHEMBL4083353 — — 2 7.14
CHEMBL4069645 — — 1 6.96
CHEMBL2431324 — — 2 6.89
CHEMBL4096994 — — 2 6.29
CHEMBL507046 — — 1 5.96
CHEMBL4095955 — — 1 5.85
CHEMBL4082145 — — 2 5.80
CHEMBL4061013 — — 2 5.80
CHEMBL4065947 — — 2 5.80
CHEMBL4096613 — — 2 5.57
CHEMBL4087798 — — 2 5.51
CHEMBL1994370 — — 2 5.50
CHEMBL4069259 — — 2 5.50
CHEMBL4100147 — — 2 5.47
CHEMBL4084012 — — 2 5.46
CHEMBL1342 OXYBATE 4.0 2 5.44
CHEMBL4060297 — — 2 5.37
CHEMBL4093368 — — 2 5.34
CHEMBL4076357 — — 2 5.12
CHEMBL4061137 — — 2 4.80
CHEMBL4098385 — — 2 4.71
CHEMBL4059970 — — 2 4.55
CHEMBL115179 — — 2 4.51
CHEMBL4088213 — — 2 4.46
CHEMBL4091697 — — 2 4.43
CHEMBL4079442 — — 2 4.43

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4099776 — Ki = 22.91 nM 7.64
CHEMBL4099776 — Ki = 23.0 nM 7.64
CHEMBL4076730 — Ki = 30.0 nM 7.52
CHEMBL4076730 — Ki = 33.88 nM 7.47
CHEMBL4089630 — Ki = 37.15 nM 7.43
CHEMBL4071834 — Ki = 40.74 nM 7.39
CHEMBL4076730 — Ki = 41.69 nM 7.38
CHEMBL4071834 — Ki = 42.0 nM 7.38
CHEMBL4076730 — Ki = 42.0 nM 7.38
CHEMBL4089630 — Ki = 43.0 nM 7.37
CHEMBL4083353 — Ki = 72.44 nM 7.14
CHEMBL4083353 — Ki = 75.0 nM 7.12
CHEMBL4069645 — Ki = 110.0 nM 6.96
CHEMBL2431324 — Ki = 130.0 nM 6.89
CHEMBL2431324 — Ki = 128.82 nM 6.89
CHEMBL4096994 — Ki = 510.0 nM 6.29
CHEMBL4096994 — Ki = 512.86 nM 6.29
CHEMBL4076730 — Ki = 1071.52 nM 5.97
CHEMBL507046 — Ki = 1100.0 nM 5.96
CHEMBL4076730 — Ki = 1160.0 nM 5.94
CHEMBL4095955 — Ki = 1400.0 nM 5.85
CHEMBL4082145 — Ki = 1600.0 nM 5.80
CHEMBL4065947 — Ki = 1600.0 nM 5.80
CHEMBL4061013 — Ki = 1600.0 nM 5.80
CHEMBL4082145 — Ki = 1584.89 nM 5.80
CHEMBL4061013 — Ki = 1659.59 nM 5.78
CHEMBL4065947 — Ki = 1698.24 nM 5.77
CHEMBL4096613 — Ki = 2691.53 nM 5.57
CHEMBL4096613 — Ki = 2700.0 nM 5.57
CHEMBL4087798 — Ki = 3090.3 nM 5.51
CHEMBL4087798 — Ki = 3100.0 nM 5.51
CHEMBL1994370 — Ki = 3162.28 nM 5.50
CHEMBL4069259 — Ki = 3200.0 nM 5.50
CHEMBL4069259 — Ki = 3235.94 nM 5.49
CHEMBL4100147 — Ki = 3388.44 nM 5.47
CHEMBL4100147 — Ki = 3500.0 nM 5.46
CHEMBL4084012 — Ki = 3500.0 nM 5.46
CHEMBL4084012 — Ki = 3548.13 nM 5.45
CHEMBL1342 OXYBATE Ki = 3600.0 nM 5.44
CHEMBL1342 OXYBATE Ki = 3630.78 nM 5.44
CHEMBL4060297 — Ki = 4265.8 nM 5.37
CHEMBL4060297 — Ki = 4300.0 nM 5.37
CHEMBL1994370 — Ki = 4300.0 nM 5.37
CHEMBL4093368 — Ki = 4570.88 nM 5.34
CHEMBL4093368 — Ki = 4600.0 nM 5.34
CHEMBL4076357 — Ki = 7585.78 nM 5.12
CHEMBL4076357 — Ki = 7700.0 nM 5.11
CHEMBL4061137 — Ki = 15848.93 nM 4.80
CHEMBL4061137 — Ki = 16000.0 nM 4.80
CHEMBL4098385 — Ki = 19498.45 nM 4.71