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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 = 'BDBM139205'   
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))
BDBM139205
PNG
(US8889668, I35)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C(F)(F)F
Show InChI InChI=1/C22H22F3N3O2/c1-14-7-5-6-12-28(14)18-11-10-15(13-17(18)22(23,24)25)21-26-20(27-30-21)16-8-3-4-9-19(16)29-2/h3-4,8-11,13-14H,5-7,12H2,1-2H3
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US Patent
3n/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 35S-GTPgammaS binding studies. Cells wer...


US Patent US8889668 (2014)

More data for this
Ligand-Target Pair