Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50402730
Substrate
n/a
Meas. Tech.
ChEMBL_886921 (CHEMBL2211877)
EC50
2.17±n/a nM
Citation
 Aguilar, N; Mir, M; Grima, PM; López, M; Segarra, V; Esteban, L; Moreno, I; Godessart, N; Tarrasón, G; Domenech, T; Vilella, D; Armengol, C; Córdoba, M; Sabaté, M; Casals, D; Domínguez, M Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists. Bioorg Med Chem Lett 22:7672-6 (2012) [PubMed]  Article 
Target
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:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50402730
Synonyms:
CHEMBL2207785
Type:
Small organic molecule
Emp. Form.:
C25H27FN4O3S
Mol. Mass.:
482.57
SMILES:
CC(C)CCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Structure:
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