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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 = 'BDBM50147713'   
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))
BDBM50147713
PNG
(CHEMBL113344 | [3-Amino-1-hydroxy-5-(4-octyl-pheny...)
Show SMILES CCCCCCCCc1ccc(CCC(N)CC(=O)P(O)(O)O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18,22-25H,2-8,13-15,20H2,1H3
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Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes


Bioorg Med Chem Lett 14: 3351-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.106
BindingDB Entry DOI: 10.7270/Q2QN667K
More data for this
Ligand-Target Pair