Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50420010
Substrate
n/a
Meas. Tech.
ChEMBL_819767 (CHEMBL2034279)
EC50
0.0251±n/a nM
Citation
 Deng, G; Meng, Q; Liu, Q; Xu, X; Xu, Q; Ren, F; Guo, TB; Lu, H; Xiang, JN; Elliott, JD; Lin, X Identification of benzoxazole analogs as novel, S1P(3) sparing S1P(1) agonists. Bioorg Med Chem Lett 22:3973-7 (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:
BDBM50420010
Synonyms:
CHEMBL2032301
Type:
Small organic molecule
Emp. Form.:
C22H19Cl2N3O4
Mol. Mass.:
460.31
SMILES:
CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)cc(Cl)c12
Structure:
Search PDB for entries with ligand similarity: