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Assay Detail

CHEMBL4009731

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

Binding
Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins followed by substrate addition measured after 10 mins by MS analysis
14
Total Activities
14
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 kinase 1 (CHEMBL4394)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits.
Schnute ME, McReynolds MD, Carroll J, Chrencik J, Highkin MK, Iyanar K, Jerome G, Rains JW, Saabye M, Scholten JA, Yates M, Nagiec MM.
J Med Chem (2017) 60 : 2562 -2572
PubMed 28231433 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 14 7.43 8.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4066270 1 8.82
CHEMBL4077280 1 8.28
CHEMBL4061789 1 8.19
CHEMBL4086094 1 7.72
CHEMBL3134157 1 7.70
CHEMBL4090361 1 7.46
CHEMBL4063424 1 7.42
CHEMBL4104017 1 6.76
CHEMBL3348835 1 6.15
CHEMBL4069327 1 5.83
CHEMBL4077075 1 -
CHEMBL4103414 1 -
CHEMBL4093845 1 -
CHEMBL4063506 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4066270 IC50 = 1.5 nM 8.82
CHEMBL4077280 IC50 = 5.2 nM 8.28
CHEMBL4061789 IC50 = 6.4 nM 8.19
CHEMBL4086094 IC50 = 19.0 nM 7.72
CHEMBL3134157 IC50 = 20.0 nM 7.70
CHEMBL4090361 IC50 = 35.0 nM 7.46
CHEMBL4063424 IC50 = 38.0 nM 7.42
CHEMBL4104017 IC50 = 173.0 nM 6.76
CHEMBL3348835 IC50 = 703.0 nM 6.15
CHEMBL4069327 IC50 = 1470.0 nM 5.83
CHEMBL4077075 IC50 - -
CHEMBL4103414 IC50 - -
CHEMBL4093845 IC50 - -
CHEMBL4063506 IC50 > 8800.0 nM -