Reaction Details |
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Target | Sphingosine 1-phosphate receptor 1 |
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Ligand | BDBM50399044 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_878769 (CHEMBL2183709) |
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IC50 | 6.1±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 |
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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BDBM50399044 |
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n/a |
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Name | BDBM50399044 |
Synonyms: | CHEMBL2178810 |
Type | Small organic molecule |
Emp. Form. | C27H29ClN2O5S |
Mol. Mass. | 529.048 |
SMILES | C[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r| |
Structure |
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