Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50063895
Substrate
n/a
Meas. Tech.
ChEMBL_1463789 (CHEMBL3404799)
IC50
0.230±n/a nM
Citation
 Buzard, DJ; Schrader, TO; Zhu, X; Lehmann, J; Johnson, B; Kasem, M; Kim, SH; Kawasaki, A; Lopez, L; Moody, J; Han, S; Gao, Y; Edwards, J; Barden, J; Thatte, J; Gatlin, J; Jones, RM Design and synthesis of new tricyclic indoles as potent modulators of the S1P1 receptor. Bioorg Med Chem Lett 25:659-63 (2015) [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:
BDBM50063895
Synonyms:
CHEMBL3403631
Type:
Small organic molecule
Emp. Form.:
C24H23ClN2O5
Mol. Mass.:
454.903
SMILES:
CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C#N
Structure:
Search PDB for entries with ligand similarity: