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Assay Detail

CHEMBL5387594

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

Binding
Modulation of S1PR1 (unknown origin)
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Sphingosine 1-phosphate receptor 1 (CHEMBL4333)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

S1PR1 modulators in multiple sclerosis: Efficacy, safety, comparison, and chemical structure insights.
Kandjani OJ, Yaqoubi S, Vahdati SS, Borhannejad B, Dastmalchi S, Alizadeh AA.
Eur J Med Chem (2023) 250 : 115182 -115182
PubMed 36758307 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 20 8.09 10.56

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4093489 1 10.56
CHEMBL3707375 AMISELIMOD 2.0 1 10.10
CHEMBL3899384 1 9.60
CHEMBL3707247 OZANIMOD 4.0 1 9.40
CHEMBL2336071 SIPONIMOD 4.0 1 9.40
CHEMBL5411968 1 9.10
CHEMBL4297505 CENERIMOD 3.0 1 9.00
CHEMBL5438034 1 8.70
CHEMBL3358920 ETRASIMOD 4.0 1 8.20
CHEMBL4297350 ASP-4058 1.0 1 8.10
CHEMBL1096146 PONESIMOD 4.0 1 8.00
CHEMBL4097139 ICANBELIMOD 2.0 1 8.00
CHEMBL225155 1 7.90
CHEMBL4297542 GSK-2018682 1.0 1 7.70
CHEMBL3741589 1 6.40
CHEMBL5413017 1 6.30
CHEMBL314854 FINGOLIMOD 4.0 1 6.10
CHEMBL5410785 1 5.60
CHEMBL224720 1 5.50
CHEMBL3960697 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4093489 EC50 = 0.02754 nM 10.56
CHEMBL3707375 AMISELIMOD EC50 = 0.07943 nM 10.10
CHEMBL3899384 EC50 = 0.2512 nM 9.60
CHEMBL3707247 OZANIMOD EC50 = 0.3981 nM 9.40
CHEMBL2336071 SIPONIMOD EC50 = 0.3981 nM 9.40
CHEMBL5411968 EC50 = 0.7943 nM 9.10
CHEMBL4297505 CENERIMOD EC50 = 1.0 nM 9.00
CHEMBL5438034 EC50 = 1.995 nM 8.70
CHEMBL3358920 ETRASIMOD EC50 = 6.31 nM 8.20
CHEMBL4297350 ASP-4058 EC50 = 7.943 nM 8.10
CHEMBL1096146 PONESIMOD EC50 = 10.0 nM 8.00
CHEMBL4097139 ICANBELIMOD EC50 = 10.0 nM 8.00
CHEMBL225155 EC50 = 12.59 nM 7.90
CHEMBL4297542 GSK-2018682 EC50 = 19.95 nM 7.70
CHEMBL3741589 EC50 = 398.11 nM 6.40
CHEMBL5413017 EC50 = 501.19 nM 6.30
CHEMBL314854 FINGOLIMOD EC50 = 794.33 nM 6.10
CHEMBL5410785 EC50 = 2511.89 nM 5.60
CHEMBL224720 EC50 = 3162.28 nM 5.50
CHEMBL3960697 EC50 = 0.007943 nM -