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  12 IC50  2 Kd  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 31 hits for monomerid = 50158336   

TargetSphingosine-1-phosphate lyase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCeramide synthase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of CerS2 in HPAC cells using DHSph as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetTransient receptor potential cation channel subfamily M member 7(Mouse)
Huazhong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataIC50: 720nMAssay Description:Inhibition of HA-tagged mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current by whole cell patch clamp analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A2(Rat)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataIC50: 29nMAssay Description:Displacement of N-terminal FAM labeled cTNI switch peptide probe from human full length cardiac troponin C in presence of CaCl2 by fluorescence polar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetCytochrome P450 2A2(Rat)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataKd:  6.20nMAssay Description:Binding affinity to human BADAN labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetCytochrome P450 2A2(Rat)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataKd:  5nMAssay Description:Binding affinity to human recombinant full length N-terminal Alexa647-NHS labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assesse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataIC50: 604nMAssay Description:Inhibition of S1PR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSphingosine-1-phosphate lyase 1(Mouse)
Spanish National Research Council (Csic)

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P4 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataEC50:  3nMAssay Description:Agonist activity at S1P3 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 5(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at S1P5 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 5(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
5/28/2017
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
5/28/2017
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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-gamma-S as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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-gamma-S as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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-gamma-S as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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-gamma-S as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 5(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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-gamma-S as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 5(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSphingosine-1-phosphate lyase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibition of S1PL (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetCeramide synthase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50158336(FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphene...)
Affinity DataKi:  2.15E+3nMAssay Description:Competitive inhibition of CerS2 in HPAC cells using DHSph as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed