Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50315560
Substrate
n/a
Meas. Tech.
ChEMBL_627321 (CHEMBL1108113)
IC50
700±n/a nM
Citation
 Evindar, G; Bernier, SG; Doyle, E; Kavarana, MJ; Satz, AL; Lorusso, J; Blanchette, HS; Saha, AK; Hannig, G; Morgan, BA; Westlin, WF Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett 20:2520-4 (2010) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 3
Synonyms:
C9orf108 | C9orf47 | EDG3 | Endothelial differentiation G-protein coupled receptor 3 | S1P receptor 3 | S1P receptor Edg-3 | S1P3 | S1PR3 | S1PR3_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor 3 (S1P3) | Sphingosine 1-phosphate receptor Edg-3
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42278.13
Organism:
Homo sapiens (Human)
Description:
Q99500
Residue:
378
Sequence:
MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
  
Inhibitor
Name:
BDBM50315560
Synonyms:
(S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trifluoromethyl)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate | CHEMBL1090828
Type:
Small organic molecule
Emp. Form.:
C25H26F3N2O6P
Mol. Mass.:
538.4527
SMILES:
C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1C(F)(F)F |r|
Structure:
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