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Assay Detail

CHEMBL1008930

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

Binding
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Gonadotropin-releasing hormone receptor (CHEMBL1855)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor.
Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.
J Med Chem (2008) 51 : 7478 -7485
PubMed 19006286 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 8.58 9.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL468551 1 9.30
CHEMBL179691 1 9.25
CHEMBL434936 1 9.19
CHEMBL502182 ELAGOLIX SODIUM 4.0 1 9.05
CHEMBL502341 1 8.96
CHEMBL509075 1 8.92
CHEMBL506877 1 8.68
CHEMBL503705 1 8.43
CHEMBL510285 1 8.38
CHEMBL191817 1 8.25
CHEMBL510538 1 8.12
CHEMBL501329 1 7.92
CHEMBL509440 1 7.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL468551 Ki = 0.5 nM 9.30
CHEMBL179691 Ki = 0.56 nM 9.25
CHEMBL434936 Ki = 0.64 nM 9.19
CHEMBL502182 ELAGOLIX SODIUM Ki = 0.9 nM 9.05
CHEMBL502341 Ki = 1.1 nM 8.96
CHEMBL509075 Ki = 1.2 nM 8.92
CHEMBL506877 Ki = 2.1 nM 8.68
CHEMBL503705 Ki = 3.7 nM 8.43
CHEMBL510285 Ki = 4.2 nM 8.38
CHEMBL191817 Ki = 5.6 nM 8.25
CHEMBL510538 Ki = 7.6 nM 8.12
CHEMBL501329 Ki = 12.0 nM 7.92
CHEMBL509440 Ki = 71.0 nM 7.15