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Assay Detail

CHEMBL4706006

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

Binding
Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

EST64454: a Highly Soluble σ Receptor Antagonist Clinical Candidate for Pain Management.
Díaz JL,García M,Torrens A,Caamaño AM,Enjo J,Sicre C,Lorente A,Port A,Montero A,Yeste S,Álvarez I,Martín M,Maldonado R,de laPuente B,Vidal-Torres A,Cendán CM,Vela JM,Almansa C
J Med Chem (2020) 63 : 14979 -14988
PubMed 33237785 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 18 7.81 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4790686 1 8.70
CHEMBL4760287 1 8.70
CHEMBL54 HALOPERIDOL 4.0 1 8.70
CHEMBL4759343 1 8.52
CHEMBL4762627 1 8.30
CHEMBL4792105 1 8.22
CHEMBL4776009 1 8.05
CHEMBL4795798 1 8.05
CHEMBL60542 (+)-PENTAZOCINE 1 7.92
CHEMBL4792110 1 7.85
CHEMBL4782656 1 7.82
CHEMBL2170062 1 7.77
CHEMBL4743610 1 7.66
CHEMBL4757975 1 7.24
CHEMBL282433 DITOLYLGUANIDINE 1 7.23
CHEMBL4786808 1 6.68
CHEMBL4795269 1 6.62
CHEMBL4799271 1 6.56

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4790686 Ki = 2.0 nM 8.70
CHEMBL4760287 Ki = 2.0 nM 8.70
CHEMBL54 HALOPERIDOL Ki = 2.0 nM 8.70
CHEMBL4759343 Ki = 3.0 nM 8.52
CHEMBL4762627 Ki = 5.0 nM 8.30
CHEMBL4792105 Ki = 6.0 nM 8.22
CHEMBL4776009 Ki = 9.0 nM 8.05
CHEMBL4795798 Ki = 9.0 nM 8.05
CHEMBL60542 (+)-PENTAZOCINE Ki = 12.0 nM 7.92
CHEMBL4792110 Ki = 14.0 nM 7.85
CHEMBL4782656 Ki = 15.0 nM 7.82
CHEMBL2170062 Ki = 17.0 nM 7.77
CHEMBL4743610 Ki = 22.0 nM 7.66
CHEMBL4757975 Ki = 58.0 nM 7.24
CHEMBL282433 DITOLYLGUANIDINE Ki = 59.0 nM 7.23
CHEMBL4786808 Ki = 209.0 nM 6.68
CHEMBL4795269 Ki = 240.0 nM 6.62
CHEMBL4799271 Ki = 278.0 nM 6.56