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Assay Detail

CHEMBL5055751

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

Binding
Antagonist activity at human TRPA1 expressed in CHO cells assessed as cinnamaldehyde-induced calcium flux measured after 90 mins by FLIPR assay
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type CHO
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
Terrett JA, Chen H, Shore DG, Villemure E, Larouche-Gauthier R, Déry M, Beaumier F, Constantineau-Forget L, Grand-Maître C, Lépissier L, Ciblat S, Sturino C, Chen Y, Hu B, Lu A, Wang Y, Cridland AP, Ward SI, Hackos DH, Reese RM, Shields SD, Chen J, Balestrini A, Riol-Blanco L, Lee WP, Liu J, Suto E, Wu X, Zhang J, Ly JQ, La H, Johnson K, Baumgardner M, Chou KJ, Rohou A, Rougé L, Safina BS, Magnuson S, Volgraf M.
J Med Chem (2021) 64 : 3843 -3869
PubMed 33749283 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 7.62 9.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4849329 1 9.05
CHEMBL5079912 1 8.72
CHEMBL5089337 1 8.70
CHEMBL4870870 1 8.54
CHEMBL5076999 1 8.14
CHEMBL5093753 1 8.13
CHEMBL5076509 1 8.12
CHEMBL5094919 1 8.09
CHEMBL5091195 1 8.02
CHEMBL5093218 1 7.85
CHEMBL4863686 1 7.70
CHEMBL5091060 1 7.60
CHEMBL5070446 1 7.50
CHEMBL5088024 1 7.30
CHEMBL5092342 1 7.27
CHEMBL5084582 1 7.12
CHEMBL3785736 1 7.00
CHEMBL5081153 1 6.39
CHEMBL5089815 1 5.72
CHEMBL5084460 1 5.34
CHEMBL5080698 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4849329 IC50 = 0.9 nM 9.05
CHEMBL5079912 IC50 = 1.9 nM 8.72
CHEMBL5089337 IC50 = 2.0 nM 8.70
CHEMBL4870870 IC50 = 2.9 nM 8.54
CHEMBL5076999 IC50 = 7.3 nM 8.14
CHEMBL5093753 IC50 = 7.4 nM 8.13
CHEMBL5076509 IC50 = 7.6 nM 8.12
CHEMBL5094919 IC50 = 8.1 nM 8.09
CHEMBL5091195 IC50 = 9.6 nM 8.02
CHEMBL5093218 IC50 = 14.0 nM 7.85
CHEMBL4863686 IC50 = 20.0 nM 7.70
CHEMBL5091060 IC50 = 25.0 nM 7.60
CHEMBL5070446 IC50 = 32.0 nM 7.50
CHEMBL5088024 IC50 = 50.0 nM 7.30
CHEMBL5092342 IC50 = 54.0 nM 7.27
CHEMBL5084582 IC50 = 75.0 nM 7.12
CHEMBL3785736 IC50 = 100.0 nM 7.00
CHEMBL5081153 IC50 = 410.0 nM 6.39
CHEMBL5089815 IC50 = 1900.0 nM 5.72
CHEMBL5084460 IC50 = 4600.0 nM 5.34
CHEMBL5080698 IC50 > 20000.0 nM -