Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50496224
Substrate
n/a
Meas. Tech.
ChEMBL_1298461 (CHEMBL3131675)
EC50
8.4±n/a nM
Citation
 Bolli, MH; Abele, S; Birker, M; Bravo, R; Bur, D; de Kanter, R; Kohl, C; Grimont, J; Hess, P; Lescop, C; Mathys, B; Müller, C; Nayler, O; Rey, M; Scherz, M; Schmidt, G; Seifert, J; Steiner, B; Velker, J; Weller, T Novel S1P(1) receptor agonists--part 3: from thiophenes to pyridines. J Med Chem 57:110-30 (2014) [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:
BDBM50496224
Synonyms:
CHEMBL3126606
Type:
Small organic molecule
Emp. Form.:
C26H34N4O5
Mol. Mass.:
482.572
SMILES:
CCc1cc(cc(C)c1OCC(O)CNC(=O)CO)-c1noc(n1)-c1ccnc(CCC(C)C)c1
Structure:
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