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Assay Detail

CHEMBL4426323

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

Binding
Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting
37
Total Activities
37
Compounds Tested
2
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

Endothelin-1 receptor (CHEMBL252)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From bosentan (Tracleer®) to macitentan (Opsumit®): The medicinal chemistry perspective.
Boss C, Bolli MH, Gatfield J.
Bioorg Med Chem Lett (2016) 26 : 3381 -3394
PubMed 27321813 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 35 8.74 10.00
Ki 2 9.09 9.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4467748 1 10.00
CHEMBL4559129 1 9.96
CHEMBL4553625 1 9.70
CHEMBL4455360 1 9.52
CHEMBL4458005 1 9.52
CHEMBL4521348 1 9.30
CHEMBL2110610 FANDOSENTAN 2.0 1 9.30
CHEMBL2103873 MACITENTAN 4.0 1 9.30
CHEMBL4528516 1 9.30
CHEMBL4565926 1 9.15
CHEMBL4463633 1 9.15
CHEMBL1111 AMBRISENTAN 4.0 1 9.00
CHEMBL4448273 1 9.00
CHEMBL293012 1 9.00
CHEMBL4542394 1 9.00
CHEMBL4549357 1 9.00
CHEMBL4528664 1 8.96
CHEMBL4573273 1 8.89
CHEMBL4519822 1 8.85
CHEMBL4436531 1 8.82
CHEMBL4572734 1 8.70
CHEMBL4540866 1 8.70
CHEMBL4573806 1 8.70
CHEMBL4449731 1 8.66
CHEMBL4536769 1 8.62
CHEMBL4574034 1 8.52
CHEMBL4566095 1 8.48
CHEMBL2165326 APROCITENTAN 4.0 1 8.47
CHEMBL4568468 1 8.22
CHEMBL23261 DARUSENTAN 3.0 1 8.22

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4467748 IC50 = 0.1 nM 10.00
CHEMBL4559129 Ki = 0.11 nM 9.96
CHEMBL4553625 IC50 = 0.2 nM 9.70
CHEMBL4455360 IC50 = 0.3 nM 9.52
CHEMBL4458005 IC50 = 0.3 nM 9.52
CHEMBL4521348 IC50 = 0.5 nM 9.30
CHEMBL2110610 FANDOSENTAN IC50 = 0.5 nM 9.30
CHEMBL2103873 MACITENTAN IC50 = 0.5 nM 9.30
CHEMBL4528516 IC50 = 0.5 nM 9.30
CHEMBL4463633 IC50 = 0.7 nM 9.15
CHEMBL4565926 IC50 = 0.7 nM 9.15
CHEMBL4542394 IC50 = 1.0 nM 9.00
CHEMBL293012 IC50 = 1.0 nM 9.00
CHEMBL4549357 IC50 = 1.0 nM 9.00
CHEMBL4448273 IC50 = 1.0 nM 9.00
CHEMBL1111 AMBRISENTAN IC50 = 1.0 nM 9.00
CHEMBL4528664 IC50 = 1.1 nM 8.96
CHEMBL4573273 IC50 = 1.3 nM 8.89
CHEMBL4519822 IC50 = 1.4 nM 8.85
CHEMBL4436531 IC50 = 1.5 nM 8.82
CHEMBL4573806 IC50 = 2.0 nM 8.70
CHEMBL4572734 IC50 = 2.0 nM 8.70
CHEMBL4540866 IC50 = 2.0 nM 8.70
CHEMBL4449731 IC50 = 2.2 nM 8.66
CHEMBL4536769 IC50 = 2.4 nM 8.62
CHEMBL4574034 IC50 = 3.0 nM 8.52
CHEMBL4566095 IC50 = 3.3 nM 8.48
CHEMBL2165326 APROCITENTAN IC50 = 3.4 nM 8.47
CHEMBL4568468 IC50 = 6.0 nM 8.22
CHEMBL23261 DARUSENTAN Ki = 6.0 nM 8.22
CHEMBL4444355 IC50 = 9.4 nM 8.03
CHEMBL330425 IC50 = 12.0 nM 7.92
CHEMBL4570529 IC50 = 15.4 nM 7.81
CHEMBL1628688 ZIBOTENTAN IC50 = 21.0 nM 7.68
CHEMBL367444 IC50 = 22.0 nM 7.66
CHEMBL4435789 IC50 = 29.0 nM 7.54
CHEMBL4465332 IC50 = 33.0 nM 7.48