Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50158335
Substrate
n/a
Meas. Tech.
ChEMBL_376411 (CHEMBL868516)
IC50
1.2±n/a nM
Citation
 Yan, L; Huo, P; Doherty, G; Toth, L; Hale, JJ; Mills, SG; Hajdu, R; Keohane, CA; Rosenbach, MJ; Milligan, JA; Shei, GJ; Chrebet, G; Bergstrom, J; Card, D; Quackenbush, E; Wickham, A; Mandala, SM Discovery of 3-arylpropionic acids as potent agonists of sphingosine-1-phosphate receptor-1 (S1P1) with high selectivity against all other known S1P receptor subtypes. Bioorg Med Chem Lett 16:3679-83 (2006) [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:
BDBM50158335
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
Type:
Small organic molecule
Emp. Form.:
C23H20F3NO3S
Mol. Mass.:
447.47
SMILES:
OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Structure:
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