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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 = 'BDBM139204'   
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))
BDBM139204
PNG
(US8889668, I34)
Show SMILES CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1/C22H19F6N3O2/c1-13-6-4-5-11-31(13)17-10-9-14(12-16(17)21(23,24)25)20-29-19(30-33-20)15-7-2-3-8-18(15)32-22(26,27)28/h2-3,7-10,12-13H,4-6,11H2,1H3
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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 35S-GTPgammaS binding studies. Cells wer...


US Patent US8889668 (2014)

More data for this
Ligand-Target Pair