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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 (S1P1)' and Ligand = 'BDBM129580'   
Target
(Institution)
LigandTarget
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 (S1P1)


(Homo sapiens (Human))
BDBM129580
PNG
(US8802663, 23)
Show SMILES Fc1ccc(F)c(c1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
Show InChI InChI=1S/C22H19F2N5O/c23-15-6-7-19(24)17(12-15)21-27-22(30-28-21)18-13-26-29(16-4-2-1-3-5-16)20(18)14-8-10-25-11-9-14/h6-13,16H,1-5H2
PDB

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US Patent
5n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells wer...


US Patent US8802663 (2014)

More data for this
Ligand-Target Pair