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Assay Detail

CHEMBL3887216

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

Binding
Binding Assay: The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the particular spirocyclic cyclohexane derivative to be tested were incubated in a total volume of 250 ul for 90 minutes at room temperature with a receptor membrane preparation (15-40 ug protein per 250 ul incubation batch) of CHO-K1 cells, which express the human mu-opiate receptor (RB-HOM receptor membrane preparation of NEN, Zaventem, Belgium), in the presence of 1 nmol/l of the radioactive ligand [3H]-naloxone (NET719, NEN, Zaventem, Belgium) and of 1 mg WGA-SPA beads (wheat germ agglutinin SPA beads from Amersham/Pharmacia, Freiburg, Germany). 50 mmoles/l Tris-HCl supplemented with 0.05 wt. % sodium azide and with 0.06 wt. % bovine serum albumin was used as the incubation buffer. 25 umoles/l naloxone was additionally added for determination of the non-specific binding.
34
Total Activities
27
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type CHO-K1
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Mu-type opioid receptor (CHEMBL233)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Process for preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds
(2015)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 34 8.32 9.44

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3894898 2 9.44
CHEMBL3894557 1 9.30
CHEMBL3959398 3 9.22
CHEMBL3966641 1 9.22
CHEMBL3954763 1 9.15
CHEMBL3959597 1 8.96
CHEMBL3953613 1 8.92
CHEMBL3962932 2 8.82
CHEMBL3890825 1 8.77
CHEMBL3924497 1 8.70
CHEMBL3961861 1 8.68
CHEMBL3919062 2 8.66
CHEMBL3892859 1 8.64
CHEMBL3958404 1 8.57
CHEMBL3914982 1 8.57
CHEMBL3980449 1 8.51
CHEMBL3942233 2 8.18
CHEMBL3909973 1 8.17
CHEMBL3909755 1 8.14
CHEMBL3909041 2 7.92
CHEMBL3892273 1 7.85
CHEMBL3973336 1 7.85
CHEMBL3979202 1 7.82
CHEMBL3899983 1 7.77
CHEMBL3895920 1 7.72
CHEMBL3936891 1 7.24
CHEMBL3983394 1 7.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3894898 Ki = 0.36 nM 9.44
CHEMBL3894557 Ki = 0.5 nM 9.30
CHEMBL3966641 Ki = 0.6 nM 9.22
CHEMBL3959398 Ki = 0.6 nM 9.22
CHEMBL3954763 Ki = 0.7 nM 9.15
CHEMBL3959597 Ki = 1.1 nM 8.96
CHEMBL3953613 Ki = 1.2 nM 8.92
CHEMBL3959398 Ki = 1.3 nM 8.89
CHEMBL3962932 Ki = 1.5 nM 8.82
CHEMBL3890825 Ki = 1.7 nM 8.77
CHEMBL3924497 Ki = 2.0 nM 8.70
CHEMBL3961861 Ki = 2.1 nM 8.68
CHEMBL3919062 Ki = 2.2 nM 8.66
CHEMBL3892859 Ki = 2.3 nM 8.64
CHEMBL3958404 Ki = 2.7 nM 8.57
CHEMBL3914982 Ki = 2.7 nM 8.57
CHEMBL3980449 Ki = 3.1 nM 8.51
CHEMBL3919062 Ki = 4.4 nM 8.36
CHEMBL3894898 Ki = 4.5 nM 8.35
CHEMBL3942233 Ki = 6.6 nM 8.18
CHEMBL3909973 Ki = 6.8 nM 8.17
CHEMBL3909755 Ki = 7.2 nM 8.14
CHEMBL3962932 Ki = 12.0 nM 7.92
CHEMBL3909041 Ki = 12.0 nM 7.92
CHEMBL3892273 Ki = 14.0 nM 7.85
CHEMBL3973336 Ki = 14.0 nM 7.85
CHEMBL3979202 Ki = 15.0 nM 7.82
CHEMBL3899983 Ki = 17.0 nM 7.77
CHEMBL3895920 Ki = 19.0 nM 7.72
CHEMBL3942233 Ki = 25.0 nM 7.60
CHEMBL3909041 Ki = 58.0 nM 7.24
CHEMBL3936891 Ki = 58.0 nM 7.24
CHEMBL3983394 Ki = 61.0 nM 7.21
CHEMBL3959398 Ki = 310.0 nM 6.51