Reaction Details  Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50453338
Substrate
n/a
Meas. Tech.
ChEMBL_1749911 (CHEMBL4184671)
EC50
316±n/a nM
Citation
  TBA Bioorg Med Chem Lett 28:459-465 (2018) [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:
BDBM50453338
Synonyms:
CHEMBL4208787
Type:
Small organic molecule
Emp. Form.:
C23H24Cl2F3NO4
Mol. Mass.:
506.342
SMILES:
Cl.OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4C(F)(F)F)ccc23)CC1
Structure:
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