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Assay Detail

CHEMBL4035574

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

Binding
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Cavia porcellus
Tissue Brain
Subcellular Membrane
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Sigma non-opioid intracellular receptor 1 (CHEMBL4153)
Type SINGLE PROTEIN
Organism Cavia porcellus

Publication

Lipase-catalyzed kinetic resolution as key step in the synthesis of enantiomerically pure σ ligands with 2-benzopyran structure.
Knappmann I, Lehmkuhl K, Köhler J, Schepmann D, Giera M, Bracher F, Wünsch B.
Bioorg Med Chem (2017) 25 : 3384 -3395
PubMed 28501431 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 17 7.66 9.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4077148 1 9.24
CHEMBL4064375 1 8.64
CHEMBL54 HALOPERIDOL 4.0 1 8.41
CHEMBL60542 (+)-PENTAZOCINE 1 8.38
CHEMBL1172685 1 8.05
CHEMBL1171916 1 8.00
CHEMBL1171865 1 8.00
CHEMBL1169962 1 7.82
CHEMBL4092162 1 7.62
CHEMBL4077547 1 7.48
CHEMBL3828752 1 7.37
CHEMBL1171917 1 7.32
CHEMBL4102372 1 7.25
CHEMBL282433 DITOLYLGUANIDINE 1 7.21
CHEMBL1169963 1 7.17
CHEMBL4060625 1 6.25
CHEMBL3827235 1 6.07

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4077148 Ki = 0.57 nM 9.24
CHEMBL4064375 Ki = 2.3 nM 8.64
CHEMBL54 HALOPERIDOL Ki = 3.9 nM 8.41
CHEMBL60542 (+)-PENTAZOCINE Ki = 4.2 nM 8.38
CHEMBL1172685 Ki = 9.0 nM 8.05
CHEMBL1171916 Ki = 10.0 nM 8.00
CHEMBL1171865 Ki = 10.0 nM 8.00
CHEMBL1169962 Ki = 15.0 nM 7.82
CHEMBL4092162 Ki = 24.0 nM 7.62
CHEMBL4077547 Ki = 33.0 nM 7.48
CHEMBL3828752 Ki = 43.0 nM 7.37
CHEMBL1171917 Ki = 48.0 nM 7.32
CHEMBL4102372 Ki = 56.0 nM 7.25
CHEMBL282433 DITOLYLGUANIDINE Ki = 61.0 nM 7.21
CHEMBL1169963 Ki = 68.0 nM 7.17
CHEMBL4060625 Ki = 556.0 nM 6.25
CHEMBL3827235 Ki = 860.0 nM 6.07