Reaction Details  Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50532534
Substrate
n/a
Meas. Tech.
ChEMBL_1923242 (CHEMBL4426198)
IC50
0.510000±n/a nM
Citation
 Gilmore, JL; Sheppeck, JE; Watterson, SH; Haque, L; Mukhopadhyay, P; Tebben, AJ; Galella, MA; Shen, DR; Yarde, M; Cvijic, ME; Borowski, V; Gillooly, K; Taylor, T; McIntyre, KW; Warrack, B; Levesque, PC; Li, JP; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Salter-Cid, L; Barrish, JC; Pitts, WJ; Carter, PH; Xie, J; Dyckman, AJ Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1). J Med Chem 59:6248-64 (2016) [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:
BDBM50532534
Synonyms:
CHEMBL4469843
Type:
Small organic molecule
Emp. Form.:
C28H30N4O5
Mol. Mass.:
502.5616
SMILES:
CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: