Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50420020
Substrate
n/a
Meas. Tech.
ChEMBL_819767 (CHEMBL2034279)
EC50
398.11±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:
BDBM50420020
Synonyms:
CHEMBL2032312
Type:
Small organic molecule
Emp. Form.:
C23H19F3N2O3S
Mol. Mass.:
460.469
SMILES:
OC(=O)CCCCCc1cnc2oc(nc2c1)-c1cc(c(s1)C(F)(F)F)-c1ccccc1
Structure:
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