Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50148434
Substrate
n/a
Meas. Tech.
ChEMBL_201316 (CHEMBL806166)
IC50
1.4±n/a nM
Citation
 Hale, JJ; Doherty, G; Toth, L; Mills, SG; Hajdu, R; Keohane, CA; Rosenbach, M; Milligan, J; Shei, GJ; Chrebet, G; Bergstrom, J; Card, D; Forrest, M; Sun, SY; West, S; Xie, H; Nomura, N; Rosen, H; Mandala, S Selecting against S1P3 enhances the acute cardiovascular tolerability of 3-(N-benzyl)aminopropylphosphonic acid S1P receptor agonists. Bioorg Med Chem Lett 14:3501-5 (2004) [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:
BDBM50148434
Synonyms:
CHEMBL117910 | [3-(3-Bromo-5-methoxy-4-nonyloxy-benzylamino)-propyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C20H35BrNO5P
Mol. Mass.:
480.373
SMILES:
CCCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Structure:
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