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Assay Detail

CHEMBL4044920

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

Binding
Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting
44
Total Activities
44
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

Chiral-pool synthesis of 1,2,4-trisubstituted 1,4-diazepanes as novel σ1 receptor ligands.
Fanter L, Müller C, Schepmann D, Bracher F, Wünsch B.
Bioorg Med Chem (2017) 25 : 4778 -4799
PubMed 28764962 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 44 7.92 9.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4062642 1 9.66
CHEMBL4063826 1 9.43
CHEMBL4084334 1 9.42
CHEMBL4065105 1 9.29
CHEMBL310240 1 9.26
CHEMBL4090896 1 9.21
CHEMBL4094304 1 9.11
CHEMBL4073697 1 9.08
CHEMBL4086541 1 9.07
CHEMBL4100774 1 8.96
CHEMBL4090350 1 8.43
CHEMBL4080042 1 8.41
CHEMBL4074010 1 8.31
CHEMBL4098070 1 8.30
CHEMBL60542 (+)-PENTAZOCINE 1 8.24
CHEMBL4099831 1 8.22
CHEMBL4077463 1 8.21
CHEMBL54 HALOPERIDOL 4.0 1 8.20
CHEMBL4075547 1 7.89
CHEMBL4078697 1 7.75
CHEMBL4081826 1 7.70
CHEMBL4102976 1 7.68
CHEMBL4066655 1 7.60
CHEMBL4087471 1 7.57
CHEMBL4093254 1 7.55
CHEMBL4083666 1 7.54
CHEMBL477036 1 7.42
CHEMBL4094187 1 7.42
CHEMBL4078572 1 7.40
CHEMBL4097642 1 7.38

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4062642 Ki = 0.22 nM 9.66
CHEMBL4063826 Ki = 0.37 nM 9.43
CHEMBL4084334 Ki = 0.38 nM 9.42
CHEMBL4065105 Ki = 0.51 nM 9.29
CHEMBL310240 Ki = 0.55 nM 9.26
CHEMBL4090896 Ki = 0.61 nM 9.21
CHEMBL4094304 Ki = 0.77 nM 9.11
CHEMBL4073697 Ki = 0.83 nM 9.08
CHEMBL4086541 Ki = 0.86 nM 9.07
CHEMBL4100774 Ki = 1.1 nM 8.96
CHEMBL4090350 Ki = 3.7 nM 8.43
CHEMBL4080042 Ki = 3.9 nM 8.41
CHEMBL4074010 Ki = 4.9 nM 8.31
CHEMBL4098070 Ki = 5.0 nM 8.30
CHEMBL60542 (+)-PENTAZOCINE Ki = 5.7 nM 8.24
CHEMBL4099831 Ki = 6.0 nM 8.22
CHEMBL4077463 Ki = 6.2 nM 8.21
CHEMBL54 HALOPERIDOL Ki = 6.3 nM 8.20
CHEMBL4075547 Ki = 13.0 nM 7.89
CHEMBL4078697 Ki = 18.0 nM 7.75
CHEMBL4081826 Ki = 20.0 nM 7.70
CHEMBL4102976 Ki = 21.0 nM 7.68
CHEMBL4066655 Ki = 25.0 nM 7.60
CHEMBL4087471 Ki = 27.0 nM 7.57
CHEMBL4093254 Ki = 28.0 nM 7.55
CHEMBL4083666 Ki = 29.0 nM 7.54
CHEMBL477036 Ki = 38.0 nM 7.42
CHEMBL4094187 Ki = 38.0 nM 7.42
CHEMBL4078572 Ki = 40.0 nM 7.40
CHEMBL4097642 Ki = 42.0 nM 7.38
CHEMBL4087925 Ki = 51.0 nM 7.29
CHEMBL4075270 Ki = 52.0 nM 7.28
CHEMBL4071325 Ki = 71.0 nM 7.15
CHEMBL4101921 Ki = 73.0 nM 7.14
CHEMBL4093286 Ki = 80.0 nM 7.10
CHEMBL282433 DITOLYLGUANIDINE Ki = 89.0 nM 7.05
CHEMBL4084922 Ki = 113.0 nM 6.95
CHEMBL4062428 Ki = 120.0 nM 6.92
CHEMBL4059616 Ki = 228.0 nM 6.64
CHEMBL4077164 Ki = 234.0 nM 6.63
CHEMBL4069312 Ki = 280.0 nM 6.55
CHEMBL4065245 Ki = 448.0 nM 6.35
CHEMBL4061903 Ki > 1000.0 nM -
CHEMBL4068411 Ki > 1000.0 nM -