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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 = 'BDBM50165394'   
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))
BDBM50165394
PNG
(CHEMBL3797452)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C)c(CN(C)CC(C)C)c1 |r|
Show InChI InChI=1/C29H40N4O5/c1-7-21-11-23(10-20(5)27(21)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)22-9-8-19(4)24(12-22)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/s2
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n/an/an/an/a 97n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair