fingolimod [Ligand Id: 2407] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL314854 (Fingolimod, FTY-720, Gilenya) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ceramide synthase 2/Ceramide synthase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5291553] [GtoPdb: 2475] [UniProtKB: Q96G23] | ||||||||
| ChEMBL | Competitive inhibition of CerS2 in HPAC cells using DHSph as substrate by LC/MS/MS analysis | B | 5.67 | pKi | 2150 | nM | Ki | J Med Chem (2021) 64: 279-297 [PMID:33395289] |
| ChEMBL | Inhibition of CerS2 in HPAC cells using DHSph as substrate | B | 5.19 | pIC50 | 6400 | nM | IC50 | J Med Chem (2021) 64: 279-297 [PMID:33395289] |
| GPR183/G-protein coupled receptor 183 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3259470] [GtoPdb: 81] [UniProtKB: P32249] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR183 | F | 5.37 | pIC50 | 4219.08 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| 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 | Inhibition of S1PR1 (unknown origin) | B | 6.22 | pIC50 | 603.75 | nM | IC50 | J Med Chem (2021) 64: 17656-17689 [PMID:34905377] |
| 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 | 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 | Modulation of S1PR1 (unknown origin) | B | 6.1 | pEC50 | 794.33 | nM | EC50 | Eur J Med Chem (2023) 250: 115182-115182 [PMID:36758307] |
| ChEMBL | GPCR PRESTO-Tango dose-response in agonist mode with target: S1PR1 | F | 7.2 | pEC50 | 62.65 | nM | EC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| 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/Transient receptor potential cation channel subfamily M member 7 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714706] [GtoPdb: 499] [UniProtKB: Q923J1] | ||||||||
| GtoPdb | - | - | 6.14 | pIC50 | 720 | nM | IC50 | Br J Pharmacol (2013) 168: 1294-312 [PMID:23145923] |
| ChEMBL | Inhibition of HA-tagged mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current by whole cell patch clamp analysis | B | 6.14 | pIC50 | 720 | nM | IC50 | J Nat Prod (2024) 87: 783-797 [PMID:38537009] |
| Troponin C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2066] [UniProtKB: P63316] | ||||||||
| ChEMBL | Binding affinity to human BADAN labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of Ca2+ by fluorescence based spectra analysis | B | 5.21 | pKd | 6200 | nM | Kd | ACS Med Chem Lett (2024) 15: 413-417 [PMID:38505838] |
| ChEMBL | Binding affinity to human recombinant full length N-terminal Alexa647-NHS labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 20 mins by microscale thermophoresis analysis | B | 5.3 | pKd | 5000 | nM | Kd | ACS Med Chem Lett (2024) 15: 413-417 [PMID:38505838] |
| ChEMBL | Displacement of N-terminal FAM labeled cTNI switch peptide probe from human full length cardiac troponin C in presence of CaCl2 by fluorescence polarization assay | B | 4.54 | pIC50 | 29100 | nM | IC50 | ACS Med Chem Lett (2024) 15: 413-417 [PMID:38505838] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
