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Assay Detail

CHEMBL5384067

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

Binding
Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of fibronectin-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in fibronectin coated wells by fluorescence plate reader assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Jurkat E6.1
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

Integrin alpha-4/beta-1 (CHEMBL1907599)
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Design and Pharmacological Characterization of α<sub>4</sub>β<sub>1</sub> Integrin Cyclopeptide Agonists: Computational Investigation of Ligand Determinants for Agonism versus Antagonism.
Anselmi M, Baiula M, Spampinato S, Artali R, He T, Gentilucci L.
J Med Chem (2023) 66 : 5021 -5040
PubMed 36976921 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 13 6.90 7.81

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4589062 1 7.81
CHEMBL5419935 1 7.39
CHEMBL5410616 1 7.30
CHEMBL5417237 1 7.25
CHEMBL5408335 1 6.81
CHEMBL5397743 1 5.97
CHEMBL5437666 1 5.76
CHEMBL4586928 1 -
CHEMBL5416838 1 -
CHEMBL5430513 1 -
CHEMBL5420916 1 -
CHEMBL5410871 1 -
CHEMBL5418990 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4589062 EC50 = 15.6 nM 7.81
CHEMBL5419935 EC50 = 40.9 nM 7.39
CHEMBL5410616 EC50 = 50.5 nM 7.30
CHEMBL5417237 EC50 = 55.6 nM 7.25
CHEMBL5408335 EC50 = 156.0 nM 6.81
CHEMBL5397743 EC50 = 1061.0 nM 5.97
CHEMBL5437666 EC50 = 1720.0 nM 5.76
CHEMBL4586928 EC50 > 5000.0 nM -
CHEMBL5416838 EC50 > 5000.0 nM -
CHEMBL5430513 EC50 > 5000.0 nM -
CHEMBL5420916 EC50 > 5000.0 nM -
CHEMBL5410871 EC50 > 5000.0 nM -
CHEMBL5418990 EC50 > 5000.0 nM -