Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50186387
Substrate
n/a
Meas. Tech.
ChEMBL_377651 (CHEMBL863677)
EC50
2.8±n/a nM
Citation
 Vachal, P; Toth, LM; Hale, JJ; Yan, L; Mills, SG; Chrebet, GL; Koehane, CA; Hajdu, R; Milligan, JA; Rosenbach, MJ; Mandala, S Highly selective and potent agonists of sphingosine-1-phosphate 1 (S1P1) receptor. Bioorg Med Chem Lett 16:3684-7 (2006) [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:
BDBM50186387
Synonyms:
3-(4-(5-(3-cyano-4-isobutoxyphenyl)-1,3,4-thiadiazol-2-yl)-3-methylphenyl)propanoic acid | CHEMBL207275
Type:
Small organic molecule
Emp. Form.:
C23H23N3O3S
Mol. Mass.:
421.512
SMILES:
CC(C)COc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Structure:
Search PDB for entries with ligand similarity: