| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine 1-phosphate receptor 1 |
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| Ligand | BDBM50399039 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_874570 (CHEMBL2186206) |
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| Kd | 0.67±n/a nM |
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| Citation |  Angst, D; Janser, P; Quancard, J; Buehlmayer, P; Berst, F; Oberer, L; Beerli, C; Streiff, M; Pally, C; Hersperger, R; Bruns, C; Bassilana, F; Bollbuck, B An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem55:9722-34 (2012) [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: | 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 42836.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P21453 |
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| Residue: | 382 |
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| Sequence: | MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFII
LENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLR
EGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIM
GWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKN
ISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLA
VLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSH
PQKDEGDNPETIMSSGNVNSSS
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| BDBM50399039 |
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| n/a |
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| Name | BDBM50399039 |
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| Synonyms: | CHEMBL2178814 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H36ClN3O5S |
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| Mol. Mass. | 586.142 |
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| SMILES | CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r| |
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| Structure | 
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