BDBM50237422 CHEMBL4086094

SMILES CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1

InChI Key InChIKey=QPJLLWJCQYMGDR-OAQYLSRUSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50237422   

TargetSphingosine kinase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50237422(CHEMBL4086094)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSphingosine kinase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50237422(CHEMBL4086094)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSphingosine kinase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50237422(CHEMBL4086094)
Affinity DataIC50:  19nMAssay Description:Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSphingosine kinase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50237422(CHEMBL4086094)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed