BDBM50158336 2-(4-octylphenethyl)-2-aminopropane-1,3-diol::2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol::2-amino-2-(4-octylphenethyl)propane-1,3-diol::2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol::CHEMBL314854::FINGOLIMOD::FINGOLIMOD HYDROCHLORIDE

SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1

InChI Key InChIKey=KKGQTZUTZRNORY-UHFFFAOYSA-N

Data  1 KI  10 IC50  16 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50158336   

TargetCeramide synthase 2(Homo sapiens)
TBA

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataKi:  2.15E+3nMAssay Description:Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundusMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  2.10E+3nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  840nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMpH: 7.4Assay Description:Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMpH: 7.4Assay Description:Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMpH: 7.4Assay Description:Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMpH: 7.4Assay Description:Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMpH: 7.4Assay Description:Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human S1P3 receptor expressed in EDG3-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  7.20nMAssay Description:Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  2nMAssay Description:Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50: <1.00E+4nMAssay Description:Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  2.51E+3nMAssay Description:Agonist activity at human S1P3 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  3.16E+3nMAssay Description:Agonist activity at human S1P5 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P5 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at S1P3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P4 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine-1-phosphate lyase 1(Mus musculus)
Spanish National Research Council (Csic)

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  5.24E+4nMAssay Description:Inhibition of mouse liver microsomal S1PL using S1P as substrate incubated for 20 mins by ESI-LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  604nMAssay Description:Inhibition of S1PR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCeramide synthase 2(Homo sapiens)
TBA

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  6.40E+3nMAssay Description:Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aortaMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine-1-phosphate lyase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  5.20E+4nMAssay Description:Inhibition of S1PL (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine-1-phosphate lyase 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Affinity DataIC50:  1.70E+4nMAssay Description:Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed