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Assay Detail

CHEMBL4356653

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

Binding
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation counting method
55
Total Activities
55
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sigma non-opioid intracellular receptor 1 (CHEMBL287)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

4-Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual μ-Opioid Receptor Agonists and σ1 Receptor Antagonists for the Treatment of Pain.
García M, Virgili M, Alonso M, Alegret C, Fernández B, Port A, Pascual R, Monroy X, Vidal-Torres A, Serafini MT, Vela JM, Almansa C.
J Med Chem (2020) 63 : 2434 -2454
PubMed 31743642 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 55 7.48 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL54 HALOPERIDOL 4.0 1 8.70
CHEMBL4470425 1 8.52
CHEMBL4541206 1 8.22
CHEMBL4515812 1 8.22
CHEMBL4538620 1 8.10
CHEMBL4536259 1 8.10
CHEMBL4452042 1 8.10
CHEMBL4534193 1 8.10
CHEMBL4560624 1 8.05
CHEMBL4438550 1 8.05
CHEMBL4436170 1 8.00
CHEMBL4584335 1 7.96
CHEMBL4544352 1 7.96
CHEMBL4516327 1 7.89
CHEMBL4439718 1 7.89
CHEMBL4578955 1 7.89
CHEMBL4593220 1 7.85
CHEMBL4457602 1 7.85
CHEMBL4467749 1 7.85
CHEMBL4550656 1 7.82
CHEMBL2170062 1 7.77
CHEMBL4450665 1 7.68
CHEMBL4446292 1 7.58
CHEMBL4463621 1 7.55
CHEMBL4439285 1 7.50
CHEMBL4526087 1 7.42
CHEMBL4483643 1 7.41
CHEMBL4528962 1 7.40
CHEMBL4535897 1 7.32
CHEMBL4592081 1 7.29

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL54 HALOPERIDOL Ki = 2.0 nM 8.70
CHEMBL4470425 Ki = 3.0 nM 8.52
CHEMBL4515812 Ki = 6.0 nM 8.22
CHEMBL4541206 Ki = 6.0 nM 8.22
CHEMBL4538620 Ki = 8.0 nM 8.10
CHEMBL4536259 Ki = 8.0 nM 8.10
CHEMBL4452042 Ki = 8.0 nM 8.10
CHEMBL4534193 Ki = 8.0 nM 8.10
CHEMBL4560624 Ki = 9.0 nM 8.05
CHEMBL4438550 Ki = 9.0 nM 8.05
CHEMBL4436170 Ki = 10.0 nM 8.00
CHEMBL4584335 Ki = 11.0 nM 7.96
CHEMBL4544352 Ki = 11.0 nM 7.96
CHEMBL4439718 Ki = 13.0 nM 7.89
CHEMBL4516327 Ki = 13.0 nM 7.89
CHEMBL4578955 Ki = 13.0 nM 7.89
CHEMBL4593220 Ki = 14.0 nM 7.85
CHEMBL4457602 Ki = 14.0 nM 7.85
CHEMBL4467749 Ki = 14.0 nM 7.85
CHEMBL4550656 Ki = 15.0 nM 7.82
CHEMBL2170062 Ki = 17.0 nM 7.77
CHEMBL4450665 Ki = 21.0 nM 7.68
CHEMBL4446292 Ki = 26.0 nM 7.58
CHEMBL4463621 Ki = 28.0 nM 7.55
CHEMBL4439285 Ki = 32.0 nM 7.50
CHEMBL4526087 Ki = 38.0 nM 7.42
CHEMBL4483643 Ki = 39.0 nM 7.41
CHEMBL4528962 Ki = 40.0 nM 7.40
CHEMBL4535897 Ki = 48.0 nM 7.32
CHEMBL4592081 Ki = 51.0 nM 7.29
CHEMBL4473746 Ki = 53.0 nM 7.28
CHEMBL4540995 Ki = 53.0 nM 7.28
CHEMBL4448670 Ki = 54.0 nM 7.27
CHEMBL4446209 Ki = 54.0 nM 7.27
CHEMBL4471711 Ki = 55.0 nM 7.26
CHEMBL4461864 Ki = 55.0 nM 7.26
CHEMBL4461774 Ki = 58.0 nM 7.24
CHEMBL4439908 Ki = 57.0 nM 7.24
CHEMBL4576031 Ki = 61.0 nM 7.21
CHEMBL4460762 Ki = 63.0 nM 7.20
CHEMBL4440055 Ki = 68.0 nM 7.17
CHEMBL4448710 Ki = 88.0 nM 7.06
CHEMBL4571738 Ki = 91.0 nM 7.04
CHEMBL4522004 Ki = 103.0 nM 6.99
CHEMBL4445578 Ki = 112.0 nM 6.95
CHEMBL4513933 Ki = 122.0 nM 6.91
CHEMBL4573960 Ki = 147.0 nM 6.83
CHEMBL4525653 Ki = 205.0 nM 6.69
CHEMBL4459117 Ki = 209.0 nM 6.68
CHEMBL4463901 Ki = 237.0 nM 6.62