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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 = 'BDBM50164807'   
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))
BDBM50164807
PNG
(CHEMBL3799953)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)c(cn1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/s2
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n/an/an/an/a 0.600n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 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