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Assay Detail

CHEMBL3583713

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

Binding
Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Novel N-Acetyl Bioisosteres of Melatonin: Melatonergic Receptor Pharmacology, Physicochemical Studies, and Phenotypic Assessment of Their Neurogenic Potential.
de la Fuente Revenga M, Fernández-Sáez N, Herrera-Arozamena C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Caignard DH, Rivara S, Rodríguez-Franco MI.
J Med Chem (2015) 58 : 4998 -5014
PubMed 26023814 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 7.42 10.04

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL45 MELATONIN 4.0 1 10.04
CHEMBL3580910 1 8.60
CHEMBL3580908 1 8.30
CHEMBL3580907 1 7.85
CHEMBL3580909 1 7.77
CHEMBL3580919 1 7.46
CHEMBL3580913 1 6.77
CHEMBL7257 MEBUFOTENIN 2.0 1 6.68
CHEMBL3580915 1 6.68
CHEMBL3580911 1 6.55
CHEMBL3580917 1 6.24
CHEMBL3580916 1 6.15
CHEMBL3580924 1 -
CHEMBL3580918 1 -
CHEMBL3580914 1 -
CHEMBL3580920 1 -
CHEMBL3580912 1 -
CHEMBL3580921 1 -
CHEMBL3580922 1 -
CHEMBL3580923 1 -
CHEMBL3580926 1 -
CHEMBL3580925 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL45 MELATONIN Ki = 0.091 nM 10.04
CHEMBL3580910 Ki = 2.5 nM 8.60
CHEMBL3580908 Ki = 5.0 nM 8.30
CHEMBL3580907 Ki = 14.0 nM 7.85
CHEMBL3580909 Ki = 17.0 nM 7.77
CHEMBL3580919 Ki = 35.0 nM 7.46
CHEMBL3580913 Ki = 170.0 nM 6.77
CHEMBL7257 MEBUFOTENIN Ki = 210.0 nM 6.68
CHEMBL3580915 Ki = 210.0 nM 6.68
CHEMBL3580911 Ki = 280.0 nM 6.55
CHEMBL3580917 Ki = 570.0 nM 6.24
CHEMBL3580916 Ki = 709.0 nM 6.15
CHEMBL3580924 Ki > 1000.0 nM -
CHEMBL3580918 Ki > 1000.0 nM -
CHEMBL3580914 Ki > 1000.0 nM -
CHEMBL3580920 Ki > 1000.0 nM -
CHEMBL3580912 Ki > 1000.0 nM -
CHEMBL3580921 Ki > 1000.0 nM -
CHEMBL3580922 Ki > 1000.0 nM -
CHEMBL3580923 Ki > 1000.0 nM -
CHEMBL3580926 Ki > 1000.0 nM -
CHEMBL3580925 Ki > 1000.0 nM -