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Assay Detail

CHEMBL4725796

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

Binding
Agonist activity at S1P1 (unknown origin)
13
Total Activities
13
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

Positional Analogue Scanning: An Effective Strategy for Multiparameter Optimization in Drug Design.
Pennington LD,Aquila BM,Choi Y,Valiulin RA,Muegge I
J Med Chem (2020) 63 : 8956 -8976
PubMed 32330036 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 13 6.81 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1938949 1 7.70
CHEMBL1938940 1 7.62
CHEMBL1938941 1 7.54
CHEMBL1938938 1 7.39
CHEMBL1938943 1 7.38
CHEMBL1938946 1 7.22
CHEMBL1938937 1 7.16
CHEMBL1938942 1 6.72
CHEMBL1938947 1 6.51
CHEMBL1938948 1 6.35
CHEMBL1938944 1 5.96
CHEMBL1938945 1 5.54
CHEMBL1938939 1 5.39

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1938949 EC50 = 20.0 nM 7.70
CHEMBL1938940 EC50 = 24.0 nM 7.62
CHEMBL1938941 EC50 = 29.0 nM 7.54
CHEMBL1938938 EC50 = 41.0 nM 7.39
CHEMBL1938943 EC50 = 42.0 nM 7.38
CHEMBL1938946 EC50 = 60.0 nM 7.22
CHEMBL1938937 EC50 = 70.0 nM 7.16
CHEMBL1938942 EC50 = 190.0 nM 6.72
CHEMBL1938947 EC50 = 310.0 nM 6.51
CHEMBL1938948 EC50 = 450.0 nM 6.35
CHEMBL1938944 EC50 = 1100.0 nM 5.96
CHEMBL1938945 EC50 = 2900.0 nM 5.54
CHEMBL1938939 EC50 = 4100.0 nM 5.39