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

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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]
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  • 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]
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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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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 33:

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]