Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50419967
Substrate
n/a
Meas. Tech.
ChEMBL_809729 (CHEMBL2016148)
EC50
31.62±n/a nM
Citation
 Xu, H; Zhang, H; Luan, L; Xu, Y; Li, C; Wang, Y; Han, F; Yang, T; Ren, F; Xiang, JN; Elliott, JD; Zhao, Y; Guo, TB; Lu, H; Zhang, W; Hirst, D; Lindon, M; Lin, X Discovery of thiadiazole amides as potent, S1P3-sparing agonists of sphingosine-1-phosphate 1 (S1P1) receptor. Bioorg Med Chem Lett 22:2456-9 (2012) [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:
BDBM50419967
Synonyms:
CHEMBL2011741
Type:
Small organic molecule
Emp. Form.:
C22H18ClF3N4OS
Mol. Mass.:
478.918
SMILES:
CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1cccc2[nH]cc(Cl)c12
Structure:
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