Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50041982
Substrate
n/a
Meas. Tech.
ChEMBL_1443690 (CHEMBL3380163)
EC50
0.038000±n/a nM
Citation
 Buzard, DJ; Lopez, L; Moody, J; Kawasaki, A; Schrader, TO; Kasem, M; Johnson, B; Zhu, X; Thoresen, L; Kim, SH; Gharbaoui, T; Sengupta, D; Calvano, L; Krishnan, A; Gao, Y; Semple, G; Edwards, J; Barden, J; Morgan, M; Usmani, K; Chen, C; Sadeque, A; Chen, W; Christopher, RJ; Thatte, J; Fu, L; Solomon, M; Whelan, K; Al-Shamma, H; Gatlin, J; Gaidarov, I; Anthony, T; Le, M; Unett, DJ; Stirn, S; Blackburn, A; Behan, DP; Jones, RM (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists. ACS Med Chem Lett 5:1334-9 (2014) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
S1PR1 | Sphingosine 1-phosphate receptor 1
Type:
PROTEIN
Mol. Mass.:
42831.51
Organism:
Macaca mulatta
Description:
ChEMBL_109730
Residue:
382
Sequence:
MGSTSVPLVKALRSSVSDYVNYDIIVRHYNYTGKLNTSADRENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALPSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNMSKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50041982
Synonyms:
CHEMBL3359522
Type:
Small organic molecule
Emp. Form.:
C24H23ClN2O4
Mol. Mass.:
438.903
SMILES:
CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N |r|
Structure:
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