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Assay Detail

CHEMBL1043648

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

Binding
Inhibition of VLA4 in human whole blood
2
Total Activities
2
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Tissue Blood
Confidence 7 — Homologous single protein target
Curated By Autocuration

Target

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

Publication

Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist.
Venkatraman S, Lebsack AD, Alves K, Gardner MF, James J, Lingham RB, Maniar S, Mumford RA, Si Q, Stock N, Treonze KM, Wang B, Zunic J, Munoz B.
Bioorg Med Chem Lett (2009) 19 : 5803 -5806
PubMed 19713111 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 9.33 10.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL566154 1 10.15
CHEMBL569442 1 8.51

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL566154 IC50 = 0.07 nM 10.15
CHEMBL569442 IC50 = 3.1 nM 8.51