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Assay Detail

CHEMBL2166381

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

Binding
Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis
ChEMBL ↗
60
Total Activities
60
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type CHO
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Endothelin receptor type B (CHEMBL1785) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist.
Bolli MH, Boss C, Binkert C, Buchmann S, Bur D, Hess P, Iglarz M, Meyer S, Rein J, Rey M, Treiber A, Clozel M, Fischli W, Weller T.
J Med Chem (2012) 55 : 7849 -7861
PubMed 22862294 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 60 6.33 9.68

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2165327 SARAFOTOXIN 6C — 1 9.68
CHEMBL112624 — — 1 7.92
CHEMBL2163708 — — 1 7.71
CHEMBL2163704 — — 1 7.38
CHEMBL2163697 — — 1 7.12
CHEMBL2163705 — — 1 6.84
CHEMBL2163716 — — 1 6.83
CHEMBL2165339 — — 1 6.80
CHEMBL2163723 — — 1 6.78
CHEMBL2163720 — — 1 6.78
CHEMBL2163725 — — 1 6.72
CHEMBL2163717 — — 1 6.71
CHEMBL957 BOSENTAN 4.0 1 6.70
CHEMBL2163703 — — 1 6.70
CHEMBL2163692 — — 1 6.68
CHEMBL2163702 — — 1 6.67
CHEMBL2163719 — — 1 6.49
CHEMBL2163709 — — 1 6.47
CHEMBL2163711 — — 1 6.42
CHEMBL2103873 MACITENTAN 4.0 1 6.41
CHEMBL2163706 — — 1 6.37
CHEMBL2165332 — — 1 6.36
CHEMBL2163721 — — 1 6.34
CHEMBL2163713 — — 1 6.34
CHEMBL2163701 — — 1 6.34
CHEMBL2165329 — — 1 6.34
CHEMBL2165334 — — 1 6.34
CHEMBL2163698 — — 1 6.33
CHEMBL2163691 — — 1 6.33
CHEMBL2165333 — — 1 6.30

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2165327 SARAFOTOXIN 6C IC50 = 0.208 nM 9.68
CHEMBL112624 — IC50 = 12.0 nM 7.92
CHEMBL2163708 — IC50 = 19.3 nM 7.71
CHEMBL2163704 — IC50 = 42.0 nM 7.38
CHEMBL2163697 — IC50 = 76.0 nM 7.12
CHEMBL2163705 — IC50 = 145.0 nM 6.84
CHEMBL2163716 — IC50 = 147.0 nM 6.83
CHEMBL2165339 — IC50 = 158.0 nM 6.80
CHEMBL2163723 — IC50 = 166.0 nM 6.78
CHEMBL2163720 — IC50 = 167.0 nM 6.78
CHEMBL2163725 — IC50 = 192.0 nM 6.72
CHEMBL2163717 — IC50 = 194.0 nM 6.71
CHEMBL2163703 — IC50 = 202.0 nM 6.70
CHEMBL957 BOSENTAN IC50 = 202.0 nM 6.70
CHEMBL2163692 — IC50 = 208.0 nM 6.68
CHEMBL2163702 — IC50 = 216.0 nM 6.67
CHEMBL2163719 — IC50 = 322.0 nM 6.49
CHEMBL2163709 — IC50 = 341.0 nM 6.47
CHEMBL2163711 — IC50 = 377.0 nM 6.42
CHEMBL2103873 MACITENTAN IC50 = 391.0 nM 6.41
CHEMBL2163706 — IC50 = 424.0 nM 6.37
CHEMBL2165332 — IC50 = 441.0 nM 6.36
CHEMBL2165334 — IC50 = 461.0 nM 6.34
CHEMBL2165329 — IC50 = 457.0 nM 6.34
CHEMBL2163713 — IC50 = 460.0 nM 6.34
CHEMBL2163721 — IC50 = 457.0 nM 6.34
CHEMBL2163701 — IC50 = 461.0 nM 6.34
CHEMBL2163698 — IC50 = 465.0 nM 6.33
CHEMBL2163691 — IC50 = 468.0 nM 6.33
CHEMBL2165333 — IC50 = 506.0 nM 6.30
CHEMBL2165328 — IC50 = 525.0 nM 6.28
CHEMBL2163728 — IC50 = 554.0 nM 6.26
CHEMBL2163715 — IC50 = 552.0 nM 6.26
CHEMBL2163714 — IC50 = 566.0 nM 6.25
CHEMBL2163724 — IC50 = 561.0 nM 6.25
CHEMBL2163718 — IC50 = 655.0 nM 6.18
CHEMBL2165330 — IC50 = 712.0 nM 6.15
CHEMBL2163690 — IC50 = 784.0 nM 6.11
CHEMBL2165337 — IC50 = 812.0 nM 6.09
CHEMBL2165338 — IC50 = 830.0 nM 6.08
CHEMBL2165326 APROCITENTAN IC50 = 987.0 nM 6.01
CHEMBL2163726 — IC50 = 1082.0 nM 5.97
CHEMBL2163695 — IC50 = 1131.0 nM 5.95
CHEMBL2163712 — IC50 = 1146.0 nM 5.94
CHEMBL2165335 — IC50 = 1264.0 nM 5.90
CHEMBL2165340 — IC50 = 1474.0 nM 5.83
CHEMBL2163722 — IC50 = 1474.0 nM 5.83
CHEMBL2163700 — IC50 = 1501.0 nM 5.82
CHEMBL2163699 — IC50 = 1765.0 nM 5.75
CHEMBL2163694 — IC50 = 2424.0 nM 5.62