Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50357764
Substrate
n/a
Meas. Tech.
ChEMBL_786289 (CHEMBL1920394)
EC50
1.1±n/a nM
Citation
 Buzard, D; Han, S; Thoresen, L; Moody, J; Lopez, L; Kawasaki, A; Schrader, T; Sage, C; Gao, Y; Edwards, J; Barden, J; Thatte, J; Fu, L; Solomon, M; Liu, L; Al-Shamma, H; Gatlin, J; Le, M; Xing, C; Espinola, S; Jones, RM Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P¿? agonists. Bioorg Med Chem Lett 21:6013-8 (2011) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
Edg1 | Lpb1 | S1PR1_MOUSE | S1pr1 | Sphingosine 1-phosphate receptor 1 | Sphingosine 1-phosphate receptor 1 (S1P1)
Type:
Enzyme
Mol. Mass.:
42663.66
Organism:
Mus musculus (Mouse)
Description:
O08530
Residue:
382
Sequence:
MVSTSIPEVKALRSSVSDYGNYDIIVRHYNYTGKLNIGAEKDHGIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIVSCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50357764
Synonyms:
CHEMBL1916399
Type:
Small organic molecule
Emp. Form.:
C22H15F3N4O5
Mol. Mass.:
472.3735
SMILES:
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Structure:
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