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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50164815'   
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 3


(Homo sapiens (Human))
BDBM50164815
PNG
(CHEMBL3798969)
Show SMILES CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C28H36N4O6/c1-4-18-11-19(10-17(3)26(18)36-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)20-12-21(5-2)30-25(13-20)37-23-8-6-7-9-23/h10-13,22-23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/s2
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n/an/an/an/a 50n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair