etrasimod [Ligand Id: 9331] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL3358920 (Apd334, APD-334, APD334, APD-334(FREE ACID), Etrasimod)
  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Sphingosine 1-phosphate receptor 1 in Rhesus macaque [ChEMBL: CHEMBL3559675] [UniProtKB: H9EUW9]
  • S1P1 receptor in Human [GtoPdb: 275] [UniProtKB: P21453]
  • S1P1 receptor/Sphingosine 1-phosphate receptor 1 in Mouse [ChEMBL: CHEMBL1914262] [GtoPdb: 275] [UniProtKB: O08530]
  • S1P1 receptor/Sphingosine 1-phosphate receptor 1 in Rat [ChEMBL: CHEMBL1914263] [GtoPdb: 275] [UniProtKB: P48303]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • S1P1 receptor/Sphingosine 1-phosphate receptor Edg-1 in Human [ChEMBL: CHEMBL4333] [GtoPdb: 275] [UniProtKB: P21453]
There should be some charts here, you may need to enable JavaScript!
  • S1P3 receptor/Sphingosine 1-phosphate receptor Edg-3 in Human [ChEMBL: CHEMBL3892] [GtoPdb: 277] [UniProtKB: Q99500]
There should be some charts here, you may need to enable JavaScript!
  • S1P2 receptor/Sphingosine 1-phosphate receptor Edg-5 in Human [ChEMBL: CHEMBL2955] [GtoPdb: 276] [UniProtKB: O95136]
There should be some charts here, you may need to enable JavaScript!
  • S1P4 receptor/Sphingosine 1-phosphate receptor Edg-6 in Human [ChEMBL: CHEMBL3230] [GtoPdb: 278] [UniProtKB: O95977]
There should be some charts here, you may need to enable JavaScript!
  • S1P5 receptor/Sphingosine 1-phosphate receptor Edg-8 in Human [ChEMBL: CHEMBL2274] [GtoPdb: 279] [UniProtKB: Q9H228]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to human adenosine A3 receptor B 5.48 pIC50 3300 nM IC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG by patch clamp assay B 4.52 pIC50 >30000 nM IC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
ChEMBL Displacement of [3H]astemizole from human ERG B 4.52 pIC50 >30000 nM IC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
Sphingosine 1-phosphate receptor 1 in Rhesus macaque (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559675] [UniProtKB: H9EUW9]
ChEMBL Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay F 9.49 pEC50 0.32 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P1 receptor in Human [GtoPdb: 275] [UniProtKB: P21453]
GtoPdb In a β-arrestin recruitment assay. - 8.21 pEC50 6.1 nM EC50 ACS Med Chem Lett (2014) 5: 1313-7 [PMID:25516790]
GtoPdb - - 9.24 pEC50 0.57 nM EC50 PLoS One (2019) 14: e0226154 [PMID:31805144]
S1P1 receptor/Sphingosine 1-phosphate receptor 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914262] [GtoPdb: 275] [UniProtKB: O08530]
ChEMBL Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay F 9.36 pEC50 0.44 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P1 receptor/Sphingosine 1-phosphate receptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914263] [GtoPdb: 275] [UniProtKB: P48303]
ChEMBL Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay F 9.49 pEC50 0.32 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
Sphingosine-1-phosphate receptor 1 in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559680] [UniProtKB: W5VNF7]
ChEMBL Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay F 9.47 pEC50 0.34 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P1 receptor/Sphingosine 1-phosphate receptor Edg-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4333] [GtoPdb: 275] [UniProtKB: P21453]
ChEMBL Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells B 8.73 pIC50 1.88 nM IC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
GtoPdb In a β-arrestin recruitment assay. - 8.21 pEC50 6.1 nM EC50 ACS Med Chem Lett (2014) 5: 1313-7 [PMID:25516790]
ChEMBL Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay B 8.21 pEC50 6.1 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
GtoPdb - - 9.24 pEC50 0.57 nM EC50 PLoS One (2019) 14: e0226154 [PMID:31805144]
ChEMBL Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay F 10.4 pEC50 0.04 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P3 receptor/Sphingosine 1-phosphate receptor Edg-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3892] [GtoPdb: 277] [UniProtKB: Q99500]
ChEMBL Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay B 5 pEC50 >10000 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P2 receptor/Sphingosine 1-phosphate receptor Edg-5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2955] [GtoPdb: 276] [UniProtKB: O95136]
ChEMBL Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay B 5 pEC50 >10000 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P4 receptor/Sphingosine 1-phosphate receptor Edg-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3230] [GtoPdb: 278] [UniProtKB: O95977]
GtoPdb In a β-arrestin recruitment assay. - 6.83 pEC50 147 nM EC50 Br J Pharmacol (2002) 136: 847-56 [PMID:12110609];
ACS Med Chem Lett (2014) 5: 1313-7 [PMID:25516790]
ChEMBL Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay B 6.83 pEC50 147 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]
S1P5 receptor/Sphingosine 1-phosphate receptor Edg-8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2274] [GtoPdb: 279] [UniProtKB: Q9H228]
GtoPdb In a β-arrestin recruitment assay. - 7.61 pEC50 24.4 nM EC50 ACS Med Chem Lett (2014) 5: 1313-7 [PMID:25516790]
ChEMBL Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay B 7.61 pEC50 24.4 nM EC50 ACS Med Chem Lett (2014) 5: 1313-1317 [PMID:25516790]

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]