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Assay Detail

CHEMBL714106

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

Binding
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]iodomelatonin as radioligand.
35
Total Activities
35
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type HEK293
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Melatonin receptor type 1A (CHEMBL1945)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Synthesis and structure-affinity-activity relationships of novel benzofuran derivatives as MT(2) melatonin receptor selective ligands.
Wallez V, Durieux-Poissonnier S, Chavatte P, Boutin JA, Audinot V, Nicolas JP, Bennejean C, Delagrange P, Renard P, Lesieur D.
J Med Chem (2002) 45 : 2788 -2800
PubMed 12061881 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 35 8.06 11.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL287560 1 11.00
CHEMBL330137 1 11.00
CHEMBL314512 1 10.70
CHEMBL94838 1 10.40
CHEMBL45 MELATONIN 4.0 1 9.92
CHEMBL323332 1 9.82
CHEMBL95166 1 9.12
CHEMBL96104 1 9.00
CHEMBL329263 1 8.90
CHEMBL96859 1 8.48
CHEMBL97186 1 8.46
CHEMBL94301 1 8.27
CHEMBL94607 1 8.14
CHEMBL315653 1 8.09
CHEMBL328617 1 8.06
CHEMBL96420 1 7.89
CHEMBL329960 1 7.84
CHEMBL329086 1 7.67
CHEMBL317742 1 7.62
CHEMBL94745 1 7.54
CHEMBL98074 1 7.50
CHEMBL33549 1 7.39
CHEMBL94919 1 7.37
CHEMBL96548 1 7.27
CHEMBL96916 1 7.26
CHEMBL96333 1 7.19
CHEMBL329299 1 7.18
CHEMBL314947 1 7.10
CHEMBL96562 1 7.07
CHEMBL440144 1 6.81

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL287560 Ki = 0.01 nM 11.00
CHEMBL330137 Ki = 0.01 nM 11.00
CHEMBL314512 Ki = 0.02 nM 10.70
CHEMBL94838 Ki = 0.04 nM 10.40
CHEMBL45 MELATONIN Ki = 0.12 nM 9.92
CHEMBL323332 Ki = 0.15 nM 9.82
CHEMBL95166 Ki = 0.75 nM 9.12
CHEMBL96104 Ki = 1.01 nM 9.00
CHEMBL329263 Ki = 1.27 nM 8.90
CHEMBL96859 Ki = 3.29 nM 8.48
CHEMBL97186 Ki = 3.51 nM 8.46
CHEMBL94301 Ki = 5.37 nM 8.27
CHEMBL94607 Ki = 7.19 nM 8.14
CHEMBL315653 Ki = 8.2 nM 8.09
CHEMBL328617 Ki = 8.67 nM 8.06
CHEMBL96420 Ki = 12.9 nM 7.89
CHEMBL329960 Ki = 14.3 nM 7.84
CHEMBL329086 Ki = 21.6 nM 7.67
CHEMBL317742 Ki = 24.0 nM 7.62
CHEMBL94745 Ki = 29.0 nM 7.54
CHEMBL98074 Ki = 31.5 nM 7.50
CHEMBL33549 Ki = 40.6 nM 7.39
CHEMBL94919 Ki = 42.7 nM 7.37
CHEMBL96548 Ki = 53.7 nM 7.27
CHEMBL96916 Ki = 55.0 nM 7.26
CHEMBL96333 Ki = 64.4 nM 7.19
CHEMBL329299 Ki = 66.4 nM 7.18
CHEMBL314947 Ki = 80.0 nM 7.10
CHEMBL96562 Ki = 84.5 nM 7.07
CHEMBL440144 Ki = 155.0 nM 6.81
CHEMBL445117 Ki = 229.0 nM 6.64
CHEMBL96778 Ki = 288.0 nM 6.54
CHEMBL327864 Ki = 476.0 nM 6.32
CHEMBL91813 Ki = 569.0 nM 6.25
CHEMBL96173 Ki = 698.0 nM 6.16