| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine 1-phosphate receptor 1 |
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| Ligand | BDBM50041691 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1446114 (CHEMBL3380994) |
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| EC50 | 0.340000±n/a nM |
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| Citation |  Buzard, DJ; Kim, SH; Lopez, L; Kawasaki, A; Zhu, X; Moody, J; Thoresen, L; Calderon, I; Ullman, B; Han, S; Lehmann, J; Gharbaoui, T; Sengupta, D; Calvano, L; Montalban, AG; Ma, YA; Sage, C; Gao, Y; Semple, G; Edwards, J; Barden, J; Morgan, M; Chen, W; Usmani, K; Chen, C; Sadeque, A; Christopher, RJ; Thatte, J; Fu, L; Solomon, M; Mills, D; Whelan, K; Al-Shamma, H; Gatlin, J; Le, M; Gaidarov, I; Anthony, T; Unett, DJ; Blackburn, A; Rueter, J; Stirn, S; Behan, DP; Jones, RM Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett5:1313-7 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingosine 1-phosphate receptor 1 |
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| Name: | Sphingosine 1-phosphate receptor 1 |
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| Synonyms: | S1PR1 | Sphingosine-1-phosphate receptor 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 42410.96 |
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| Organism: | Canis lupus familiaris |
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| Description: | ChEMBL_109735 |
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| Residue: | 381 |
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| Sequence: | MGSTSVPLVKALRSPVSDYVNYDIIVRHYNYTGKLNTSADKENGIKMSSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDPLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSFRSFLLISACWVISLVLGGLPIM
GWNCIGALASCPTVLPLYHKHYILFCTTVFTLLLLAIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPPFILLLDVGCKVKTCDILFRAEYFLVLAV
LNSGTNPIIYTLTNKEMRRAFIRILSCCKCPGGDPAGKFKRPIIAGVEFSRSKSDNSSHP
QKDDGDNPETVMSSGNVNSSS
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| BDBM50041691 |
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| n/a |
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| Name | BDBM50041691 |
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| Synonyms: | CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)- |
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| Type | Small organic molecule |
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| Emp. Form. | C26H26F3NO3 |
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| Mol. Mass. | 457.4847 |
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| SMILES | OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| |
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| Structure | 
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