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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50249260'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249260
PNG
((S)-2-amino-3-(4-(2-(2'-chlorobiphenyl-4-yl)ethoxy...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H26ClN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-19-10-12-20(13-11-19)32-15-14-17-6-8-18(9-7-17)21-4-2-3-5-22(21)25/h2-13H,14-16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1
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Article
PubMed
n/an/a 0.840n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair