BDBM50240721 (E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol::CHEMBL322333::N,N-Dimethylsphingosine::N,N-dimethylspingosine::dimethylspingosine

SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C

InChI Key InChIKey=YRXOQXUDKDCXME-YIVRLKKSSA-N

Data  6 KI  10 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50240721   

TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of SphK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of EGFP-fused human SPHK1 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of SphK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  1.25E+4nMAssay Description:Inhibition of human cloned SPHK2 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of His-tagged full length human recombinant SPHK2 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataKi:  1.60E+4nMAssay Description:Inhibition of His-tagged full length human recombinant SPHK1 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50: >8.00E+4nMAssay Description:Inhibition of SphK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of recombinant human SphK2 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  5.06E+4nMAssay Description:Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  5.70E+3nMAssay Description:Inhibition of EGFP-fused human SPHK1 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  5.70E+3nMAssay Description:Inhibition of human sphingosine kinase 1 by off chip mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholesteryl ester transfer protein(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  6.30E+3nMAssay Description:Compound was measured for its inhibitory activity against cholesteryl ester transfer protein (CETP)More data for this Ligand-Target Pair
In DepthDetails Article
TargetLethal factor(Bacillus anthracis)
University Of California

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  2.30E+3nMAssay Description:Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  6.00E+4nMAssay Description:Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 1(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  2.17E+3nMAssay Description:Inhibition of SphK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine kinase 2(Homo sapiens (Human))
Penn State Hershey Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50240721((E)-(2S,3R)-2-Dimethylamino-octadec-4-ene-1,3-diol...)
Affinity DataIC50:  2.63E+4nMAssay Description:Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed