Reaction Details |
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Target | Sphingosine 1-phosphate receptor 1 |
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Ligand | BDBM50041692 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1446103 (CHEMBL3380330) |
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EC50 | 0.090000±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 |
Synonyms: | CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1 |
Type: | Enzyme |
Mol. Mass.: | 42836.02 |
Organism: | Homo sapiens (Human) |
Description: | P21453 |
Residue: | 382 |
Sequence: | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS
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BDBM50041692 |
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n/a |
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Name | BDBM50041692 |
Synonyms: | CHEMBL3358919 |
Type | Small organic molecule |
Emp. Form. | C26H26F3NO3 |
Mol. Mass. | 457.4847 |
SMILES | OC(=O)C[C@@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| |
Structure |
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