Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(2R)-1-[[4-[2-methyl-3-[[(2R)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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 PubChem ID
CID: 137646035
Canonical SMILES
Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1
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Compound Formula C25H31N3O2
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
CL000980 MDA-1483
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 81 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
2
IC50 = 870 nM
   TI
   LI
   LO
   TS
3
Kd = 2900 nM
   TI
   LI
   LO
   TS