fingolimod [Ligand Id: 2407] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL314854 (Fingolimod, FTY-720, Gilenya)
  • sphingosine-1-phosphate lyase 1/Sphingosine-1-phosphate lyase 1 in Human [ChEMBL: CHEMBL3286061] [GtoPdb: 2522] [UniProtKB: O95470]
  • sphingosine-1-phosphate lyase 1/Sphingosine-1-phosphate lyase 1 in Mouse [ChEMBL: CHEMBL5009] [GtoPdb: 2522] [UniProtKB: Q8R0X7]
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  • S1P1 receptor/Sphingosine 1-phosphate receptor Edg-1 in Human [ChEMBL: CHEMBL4333] [GtoPdb: 275] [UniProtKB: P21453]
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  • S1P3 receptor/Sphingosine 1-phosphate receptor Edg-3 in Human [ChEMBL: CHEMBL3892] [GtoPdb: 277] [UniProtKB: Q99500]
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  • S1P2 receptor/Sphingosine 1-phosphate receptor Edg-5 in Human [ChEMBL: CHEMBL2955] [GtoPdb: 276] [UniProtKB: O95136]
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  • S1P4 receptor/Sphingosine 1-phosphate receptor Edg-6 in Human [ChEMBL: CHEMBL3230] [GtoPdb: 278] [UniProtKB: O95977]
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  • S1P5 receptor/Sphingosine 1-phosphate receptor Edg-8 in Human [ChEMBL: CHEMBL2274] [GtoPdb: 279] [UniProtKB: Q9H228]
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  • TRPM7 in Mouse [GtoPdb: 499] [UniProtKB: Q923J1]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
sphingosine-1-phosphate lyase 1/Sphingosine-1-phosphate lyase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286061] [GtoPdb: 2522] [UniProtKB: O95470]
ChEMBL Inhibition of S1PL (unknown origin) B 4.28 pIC50 52000 nM IC50 J Med Chem (2014) 57: 5074-5084 [PMID:24809814]
ChEMBL Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr B 4.77 pIC50 17000 nM IC50 J Med Chem (2014) 57: 5074-5084 [PMID:24809814]
sphingosine-1-phosphate lyase 1/Sphingosine-1-phosphate lyase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5009] [GtoPdb: 2522] [UniProtKB: Q8R0X7]
ChEMBL Inhibition of mouse liver microsomal S1PL using S1P as substrate incubated for 20 mins by ESI-LC/MS analysis B 4.28 pIC50 52400 nM IC50 Eur J Med Chem (2016) 123: 905-915 [PMID:27543882]
S1P1 receptor/Sphingosine 1-phosphate receptor Edg-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4333] [GtoPdb: 275] [UniProtKB: P21453]
ChEMBL Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells B 6.08 pIC50 840 nM IC50 J Med Chem (2004) 47: 6662-6665 [PMID:15615513]
GtoPdb - - 6.08 pIC50 840 nM IC50 J Med Chem (2004) 47: 6662-5 [PMID:15615513]
ChEMBL Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand F 5 pEC50 >10000 nM EC50 J Med Chem (2005) 48: 5373-5377 [PMID:16078855]
ChEMBL Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay F 5 pEC50 >10000 nM EC50 Bioorg Med Chem Lett (2018) 28: 459-465 [PMID:29254642]
ChEMBL Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay B 8.14 pEC50 7.2 nM EC50 Bioorg Med Chem Lett (2016) 26: 466-471 [PMID:26687487]
ChEMBL Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining F 8.7 pEC50 2 nM EC50 Bioorg Med Chem Lett (2012) 22: 527-531 [PMID:22104144]
ChEMBL Agonist activity at S1P1 receptor (unknown origin) B 9.52 pEC50 0.3 nM EC50 Bioorg Med Chem Lett (2013) 23: 6377-6389 [PMID:24125884]
S1P3 receptor/Sphingosine 1-phosphate receptor Edg-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3892] [GtoPdb: 277] [UniProtKB: Q99500]
ChEMBL Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells B 5 pIC50 >10000 nM IC50 J Med Chem (2004) 47: 6662-6665 [PMID:15615513]
ChEMBL Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand F 5 pEC50 >10000 nM EC50 J Med Chem (2005) 48: 5373-5377 [PMID:16078855]
ChEMBL Agonist activity at human S1P3 receptor expressed in EDG3-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay B 5 pEC50 >10000 nM EC50 Bioorg Med Chem Lett (2016) 26: 466-471 [PMID:26687487]
ChEMBL Agonist activity at human S1P3 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay F 5.6 pEC50 2511.89 nM EC50 Bioorg Med Chem Lett (2018) 28: 459-465 [PMID:29254642]
ChEMBL Agonist activity at S1P3 receptor (unknown origin) B 8.52 pEC50 3 nM EC50 Bioorg Med Chem Lett (2013) 23: 6377-6389 [PMID:24125884]
S1P2 receptor/Sphingosine 1-phosphate receptor Edg-5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2955] [GtoPdb: 276] [UniProtKB: O95136]
ChEMBL Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells B 5 pIC50 >10000 nM IC50 J Med Chem (2004) 47: 6662-6665 [PMID:15615513]
ChEMBL Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand F 5 pEC50 >10000 nM EC50 J Med Chem (2005) 48: 5373-5377 [PMID:16078855]
S1P4 receptor/Sphingosine 1-phosphate receptor Edg-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3230] [GtoPdb: 278] [UniProtKB: O95977]
ChEMBL Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells B 5 pIC50 >10000 nM IC50 J Med Chem (2004) 47: 6662-6665 [PMID:15615513]
ChEMBL Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand F 5 pEC50 >10000 nM EC50 J Med Chem (2005) 48: 5373-5377 [PMID:16078855]
ChEMBL Agonist activity at S1P4 receptor (unknown origin) B 9.52 pEC50 0.3 nM EC50 Bioorg Med Chem Lett (2013) 23: 6377-6389 [PMID:24125884]
S1P5 receptor/Sphingosine 1-phosphate receptor Edg-8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2274] [GtoPdb: 279] [UniProtKB: Q9H228]
ChEMBL Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells B 5.68 pIC50 2100 nM IC50 J Med Chem (2004) 47: 6662-6665 [PMID:15615513]
GtoPdb - - 5.68 pIC50 2100 nM IC50 J Med Chem (2004) 47: 6662-5 [PMID:15615513]
ChEMBL Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand F 5 pEC50 >10000 nM EC50 J Med Chem (2005) 48: 5373-5377 [PMID:16078855]
ChEMBL Agonist activity at human S1P5 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay F 5.5 pEC50 3162.28 nM EC50 Bioorg Med Chem Lett (2018) 28: 459-465 [PMID:29254642]
ChEMBL Agonist activity at S1P5 receptor (unknown origin) B 9.52 pEC50 0.3 nM EC50 Bioorg Med Chem Lett (2013) 23: 6377-6389 [PMID:24125884]
TRPM7 in Mouse [GtoPdb: 499] [UniProtKB: Q923J1]
GtoPdb - - 6.14 pIC50 720 nM IC50 Br J Pharmacol (2013) 168: 1294-312 [PMID:23145923]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]