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Assay Detail

CHEMBL820361

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

Binding
Inhibitory activity of compound against alpha4-beta7 integrin using MAdCAM-Ig ligand
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 6 — Multiple protein complex / RNA
Curated By Autocuration

Target

Integrin alpha-4/beta-7 (CHEMBL2095184)
Type PROTEIN COMPLEX
Organism Homo sapiens

Publication

Amidines as amide bond replacements in VLA-4 antagonists.
Kamenecka TM, Park YJ, Lin LS, de Laszlo S, McCauley ED, Van Riper G, Egger L, Kidambi U, Mumford RA, Tong S, Tang W, Colletti A, Teffera Y, Stearns R, MacCoss M, Schmidt JA, Hagmann WK.
Bioorg Med Chem Lett (2004) 14 : 2323 -2326
PubMed 15081033 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 7.23 8.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL74437 1 8.66
CHEMBL74958 1 8.39
CHEMBL76119 1 7.96
CHEMBL309823 1 7.85
CHEMBL310044 1 7.80
CHEMBL420936 1 7.72
CHEMBL75032 1 7.68
CHEMBL306827 1 7.57
CHEMBL312369 1 7.46
CHEMBL407284 1 7.46
CHEMBL305709 1 7.40
CHEMBL74507 1 7.37
CHEMBL308155 1 7.19
CHEMBL74727 1 7.16
CHEMBL78157 1 7.11
CHEMBL74321 1 7.11
CHEMBL309088 1 7.01
CHEMBL407381 1 6.92
CHEMBL77623 1 5.52
CHEMBL414879 1 5.39
CHEMBL308124 1 5.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL74437 IC50 = 2.2 nM 8.66
CHEMBL74958 IC50 = 4.1 nM 8.39
CHEMBL76119 IC50 = 11.0 nM 7.96
CHEMBL309823 IC50 = 14.0 nM 7.85
CHEMBL310044 IC50 = 16.0 nM 7.80
CHEMBL420936 IC50 = 19.0 nM 7.72
CHEMBL75032 IC50 = 21.0 nM 7.68
CHEMBL306827 IC50 = 27.0 nM 7.57
CHEMBL312369 IC50 = 35.0 nM 7.46
CHEMBL407284 IC50 = 35.0 nM 7.46
CHEMBL305709 IC50 = 40.0 nM 7.40
CHEMBL74507 IC50 = 43.0 nM 7.37
CHEMBL308155 IC50 = 65.0 nM 7.19
CHEMBL74727 IC50 = 69.0 nM 7.16
CHEMBL78157 IC50 = 78.0 nM 7.11
CHEMBL74321 IC50 = 78.0 nM 7.11
CHEMBL309088 IC50 = 98.0 nM 7.01
CHEMBL407381 IC50 = 120.0 nM 6.92
CHEMBL77623 IC50 = 3000.0 nM 5.52
CHEMBL414879 IC50 = 4090.0 nM 5.39
CHEMBL308124 IC50 = 8400.0 nM 5.08