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Assay Detail

CHEMBL1120949

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

Binding
Inhibition of LFA1-mediated human T cell proliferation assessed as [3H]thymidine uptake after 4 days by mixed lymphocyte reaction assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type T-cell
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Integrin alpha-L (CHEMBL1803)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W, Potin D, Launay M, Stetsko DK, Skala S, Davis PM, Lee D, Yang X, McIntyre KW, Balimane P, Patel K, Yang Z, Marathe P, Kadiyala P, Tebben AJ, Sheriff S, Chang CY, Ziemba T, Zhang H, Chen BC, DelMonte AJ, Aranibar N, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG.
J Med Chem (2010) 53 : 3814 -3830
PubMed 20405922 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 6.75 7.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1094115 1 7.30
CHEMBL1098726 1 7.22
CHEMBL1095138 1 7.16
CHEMBL1098727 1 7.10
CHEMBL1096039 1 7.10
CHEMBL1094128 1 7.10
CHEMBL1098760 1 7.00
CHEMBL1094753 1 6.85
CHEMBL1094116 1 6.85
CHEMBL1096088 1 6.77
CHEMBL1097384 1 6.70
CHEMBL1099103 1 6.62
CHEMBL1097733 1 6.58
CHEMBL1096053 1 6.57
CHEMBL1098437 1 6.55
CHEMBL1098761 1 6.55
CHEMBL214529 1 6.55
CHEMBL1094431 1 6.51
CHEMBL1094127 1 6.40
CHEMBL1095148 1 6.39
CHEMBL1098071 1 5.90
CHEMBL1096040 1 -
CHEMBL1095137 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1094115 IC50 = 50.0 nM 7.30
CHEMBL1098726 IC50 = 60.0 nM 7.22
CHEMBL1095138 IC50 = 70.0 nM 7.16
CHEMBL1098727 IC50 = 80.0 nM 7.10
CHEMBL1096039 IC50 = 80.0 nM 7.10
CHEMBL1094128 IC50 = 80.0 nM 7.10
CHEMBL1098760 IC50 = 100.0 nM 7.00
CHEMBL1094753 IC50 = 140.0 nM 6.85
CHEMBL1094116 IC50 = 140.0 nM 6.85
CHEMBL1096088 IC50 = 170.0 nM 6.77
CHEMBL1097384 IC50 = 200.0 nM 6.70
CHEMBL1099103 IC50 = 240.0 nM 6.62
CHEMBL1097733 IC50 = 260.0 nM 6.58
CHEMBL1096053 IC50 = 270.0 nM 6.57
CHEMBL1098437 IC50 = 280.0 nM 6.55
CHEMBL1098761 IC50 = 280.0 nM 6.55
CHEMBL214529 IC50 = 280.0 nM 6.55
CHEMBL1094431 IC50 = 310.0 nM 6.51
CHEMBL1094127 IC50 = 400.0 nM 6.40
CHEMBL1095148 IC50 = 410.0 nM 6.39
CHEMBL1098071 IC50 = 1260.0 nM 5.90
CHEMBL1096040 IC50 - -
CHEMBL1095137 IC50 - -