null

SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1

InChI Key InChIKey=NPUXORBZRBIOMQ-RUZDIDTESA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50041978   

TargetSphingosine kinase 1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrateMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataIC50: 387nMAssay Description:Inhibition of recombinant His-tagged human SK1 assessed as production of [32P]-S1P using 10 uM sphingosine as substrate by TLC method in presence of ...More data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of SK1 (unknown origin) using 3 uM of sphingosine as substrateMore data for this Ligand-Target Pair
TargetSphingosine kinase 1(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human SK2 assessed as production of [32P] S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gam...More data for this Ligand-Target Pair
TargetSphingosine kinase 2(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WW7KJHPubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50041978(CHEMBL3134157)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of SK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WW7KJHPubMed