Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50419989
Substrate
n/a
Meas. Tech.
ChEMBL_813766 (CHEMBL2020024)
EC50
3162.28±n/a nM
Citation
 Meng, Q; Zhao, B; Xu, Q; Xu, X; Deng, G; Li, C; Luan, L; Ren, F; Wang, H; Xu, H; Xu, Y; Zhang, H; Xiang, JN; Elliott, JD; Guo, TB; Zhao, Y; Zhang, W; Lu, H; Lin, X Indole-propionic acid derivatives as potent, S1P3-sparing and EAE efficacious sphingosine-1-phosphate 1 (S1P1) receptor agonists. Bioorg Med Chem Lett 22:2794-7 (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:
BDBM50419989
Synonyms:
CHEMBL2018313
Type:
Small organic molecule
Emp. Form.:
C19H14ClN3O3
Mol. Mass.:
367.786
SMILES:
OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: