Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50041707
Substrate
n/a
Meas. Tech.
ChEMBL_1446103 (CHEMBL3380330)
EC50
141±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:
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:
BDBM50041707
Synonyms:
CHEMBL3358908
Type:
Small organic molecule
Emp. Form.:
C22H17F3N2O3
Mol. Mass.:
414.3772
SMILES:
OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C#N)c(c3)C(F)(F)F)cc21
Structure:
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