Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50055549
Substrate
n/a
Meas. Tech.
ChEMBL_1452260 (CHEMBL3366172)
EC50
148±n/a nM
Citation
 Tian, Y; Jin, J; Wang, X; Hu, J; Xiao, Q; Zhou, W; Chen, X; Yin, D Discovery of oxazole and triazole derivatives as potent and selective S1P(1) agonists through pharmacophore-guided design. Eur J Med Chem 85:1-15 (2014) [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:
BDBM50055549
Synonyms:
CHEMBL3341926
Type:
Small organic molecule
Emp. Form.:
C21H22N3O6P
Mol. Mass.:
443.3896
SMILES:
NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(cc1)C#N)COP(O)(O)=O
Structure:
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