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Assay Detail

CHEMBL4142291

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

Binding
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell lysates after 1 hr by gamma counting analysis
10
Total Activities
9
Compounds Tested
3
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Oxyprenylated Phenylpropanoids Bind to MT1 Melatonin Receptors and Inhibit Breast Cancer Cell Proliferation and Migration.
Hasan M, Genovese S, Fiorito S, Epifano F, Witt-Enderby PA.
J Nat Prod (2017) 80 : 3324 -3329
PubMed 29144746 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 8 6.21 9.52
KiL 1 - -
KiH 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL45 MELATONIN 4.0 1 9.52
CHEMBL4175759 1 6.43
CHEMBL145781 7-BENZYLOXYCOUMARIN 1 6.35
CHEMBL2022666 BOROPINAL 1 6.11
CHEMBL2268532 7-(2-PENTYNYLOXY)COUMARIN 1 6.05
CHEMBL307341 AURAPTENE 1 5.72
CHEMBL156692 7-PRENYLOXYCOUMARIN 1 5.28
CHEMBL221960 1 4.23
CHEMBL156127 UMBELLIPRENIN 2 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL45 MELATONIN Ki = 0.3037 nM 9.52
CHEMBL4175759 Ki = 370.0 nM 6.43
CHEMBL145781 7-BENZYLOXYCOUMARIN Ki = 445.0 nM 6.35
CHEMBL2022666 BOROPINAL Ki = 786.0 nM 6.11
CHEMBL2268532 7-(2-PENTYNYLOXY)COUMARIN Ki = 888.0 nM 6.05
CHEMBL307341 AURAPTENE Ki = 1900.0 nM 5.72
CHEMBL156692 7-PRENYLOXYCOUMARIN Ki = 5200.0 nM 5.28
CHEMBL221960 Ki = 59000.0 nM 4.23
CHEMBL156127 UMBELLIPRENIN KiL = 3.3 nM -
CHEMBL156127 UMBELLIPRENIN KiH = 1.6 nM -