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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50041691
Substrate
n/a
Meas. Tech.
ChEMBL_1446114 (CHEMBL3380994)
EC50
0.340000±n/a nM
Citation
 Buzard, DJ; Kim, SH; Lopez, L; Kawasaki, A; Zhu, X; Moody, J; Thoresen, L; Calderon, I; Ullman, B; Han, S; Lehmann, J; Gharbaoui, T; Sengupta, D; Calvano, L; Montalban, AG; Ma, YA; Sage, C; Gao, Y; Semple, G; Edwards, J; Barden, J; Morgan, M; Chen, W; Usmani, K; Chen, C; Sadeque, A; Christopher, RJ; Thatte, J; Fu, L; Solomon, M; Mills, D; Whelan, K; Al-Shamma, H; Gatlin, J; Le, M; Gaidarov, I; Anthony, T; Unett, DJ; Blackburn, A; Rueter, J; Stirn, S; Behan, DP; Jones, RM Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett 5:1313-7 (2014) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
S1PR1 | Sphingosine-1-phosphate receptor 1
Type:
PROTEIN
Mol. Mass.:
42410.96
Organism:
Canis lupus familiaris
Description:
ChEMBL_109735
Residue:
381
Sequence:
MGSTSVPLVKALRSPVSDYVNYDIIVRHYNYTGKLNTSADKENGIKMSSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDPLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSFRSFLLISACWVISLVLGGLPIMGWNCIGALASCPTVLPLYHKHYILFCTTVFTLLLLAIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPPFILLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRILSCCKCPGGDPAGKFKRPIIAGVEFSRSKSDNSSHPQKDDGDNPETVMSSGNVNSSS
  
Inhibitor
Name:
BDBM50041691
Synonyms:
CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-
Type:
Small organic molecule
Emp. Form.:
C26H26F3NO3
Mol. Mass.:
457.4847
SMILES:
OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r|
Structure:
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