| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine 1-phosphate receptor 1 |
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| Ligand | BDBM50158335 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_430293 (CHEMBL913919) |
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| IC50 | 1.2±n/a nM |
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| Citation |  Hale, JJ; Lynch, CL; Neway, W; Mills, SG; Hajdu, R; Keohane, CA; Rosenbach, MJ; Milligan, JA; Shei, GJ; Parent, SA; Chrebet, G; Bergstrom, J; Card, D; Ferrer, M; Hodder, P; Strulovici, B; Rosen, H; Mandala, S A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 receptor agonists. J Med Chem47:6662-5 (2004) [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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| BDBM50158335 |
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| n/a |
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| Name | BDBM50158335 |
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| Synonyms: | 1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid | 1-[4-(4-Phenyl-5-trifluoromethyl-thiophen-2-ylmethoxy)-benzyl]-azetidine-3-carboxylic acid | CHEMBL425563 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H20F3NO3S |
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| Mol. Mass. | 447.47 |
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| SMILES | OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 |
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| Structure | 
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