Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
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 PubChem ID
CID: 66577038
Canonical SMILES
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1
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Compound Formula C27H31NO4S
Compound Structure
Protein Name
 Protein Info 
Sphingosine kinase 1
Protein Classification
Enzyme
Uniprot ID
Q9NYA1
Gene Name
SPHK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
CL000980 MDA-1483
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 3.6 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
2
IC50 = 2.7 nM
   TI
   LI
   LO
   TS
3
Ki = 3.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.6 nM
2 IC50 = 3 nM
3 IC50 = 20 nM
4 IC50 = 28 nM
5 IC50 = 40 nM
6 IC50 = 387 nM
7 Kd = 5 nM
8 Ki = 4 nM