Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50384703
Substrate
n/a
Meas. Tech.
ChEMBL_820804 (CHEMBL2038509)
EC50
81±n/a nM
Citation
 Harrington, PE; Croghan, MD; Fotsch, C; Frohn, M; Lanman, BA; Pennington, LD; Pickrell, AJ; Reed, AB; Sham, KK; Tasker, A; Arnett, HA; Fiorino, M; Lee, MR; McElvain, M; Morrison, HG; Xu, H; Xu, Y; Zhang, X; Wong, M; Cee, VJ Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core. ACS Med Chem Lett 3:74-78 (2012) [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:
BDBM50384703
Synonyms:
CHEMBL2037122
Type:
Small organic molecule
Emp. Form.:
C25H20F3N3O2
Mol. Mass.:
451.4404
SMILES:
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CN)c12
Structure:
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