| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine 1-phosphate receptor 1 |
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| Ligand | BDBM50237424 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1660114 (CHEMBL4009726) |
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| IC50 | >10000±n/a nM |
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| Citation |  Schnute, ME; McReynolds, MD; Carroll, J; Chrencik, J; Highkin, MK; Iyanar, K; Jerome, G; Rains, JW; Saabye, M; Scholten, JA; Yates, M; Nagiec, MM Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits. J Med Chem60:2562-2572 (2017) [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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| BDBM50237424 |
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| n/a |
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| Name | BDBM50237424 |
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| Synonyms: | CHEMBL4101573 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21N3O3S |
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| Mol. Mass. | 407.485 |
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| SMILES | Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3[nH]c(N)nc3c2)c1 |
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| Structure | 
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