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Assay Detail

CHEMBL818376

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

Binding
Inhibition of [125I]VCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type RPMI-8866
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

The discovery of sulfonylated dipeptides as potent VLA-4 antagonists.
Hagmann WK, Durette PL, Lanza T, Kevin NJ, de Laszlo SE, Kopka IE, Young D, Magriotis PA, Li B, Lin LS, Yang G, Kamenecka T, Chang LL, Wilson J, MacCoss M, Mills SG, Van Riper G, McCauley E, Egger LA, Kidambi U, Lyons K, Vincent S, Stearns R, Colletti A, Teffera J, Tong S, Fenyk-Melody J, Owens K, Levorse D, Kim P, Schmidt JA, Mumford RA.
Bioorg Med Chem Lett (2001) 11 : 2709 -2713
PubMed 11591507 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 15 6.66 8.53

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL56511 1 8.53
CHEMBL88608 1 7.88
CHEMBL90637 1 7.61
CHEMBL91109 1 7.11
CHEMBL90580 1 7.08
CHEMBL330340 1 6.62
CHEMBL94107 1 6.51
CHEMBL93790 1 6.46
CHEMBL328973 1 6.38
CHEMBL88478 1 6.36
CHEMBL92200 1 5.94
CHEMBL91136 1 5.91
CHEMBL90995 1 5.65
CHEMBL91030 1 5.24
CHEMBL93700 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL56511 IC50 = 2.98 nM 8.53
CHEMBL88608 IC50 = 13.2 nM 7.88
CHEMBL90637 IC50 = 24.32 nM 7.61
CHEMBL91109 IC50 = 78.25 nM 7.11
CHEMBL90580 IC50 = 82.7 nM 7.08
CHEMBL330340 IC50 = 242.0 nM 6.62
CHEMBL94107 IC50 = 311.0 nM 6.51
CHEMBL93790 IC50 = 344.5 nM 6.46
CHEMBL328973 IC50 = 413.0 nM 6.38
CHEMBL88478 IC50 = 433.0 nM 6.36
CHEMBL92200 IC50 = 1140.8 nM 5.94
CHEMBL91136 IC50 = 1235.0 nM 5.91
CHEMBL90995 IC50 = 2260.0 nM 5.65
CHEMBL91030 IC50 = 5720.0 nM 5.24
CHEMBL93700 IC50 > 4000.0 nM -