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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 = 'BDBM123451'   
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))
BDBM123451
PNG
(US8741923, 4)
Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C24H20N4O2/c1-15-5-3-4-6-19(15)20-9-7-17(11-18(20)13-29-2)24-27-23(28-30-24)16-8-10-21-22(12-16)26-14-25-21/h3-12,14H,13H2,1-2H3,(H,25,26)
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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-GTPγS binding studies. Cells we...


US Patent US8741923 (2014)

More data for this
Ligand-Target Pair