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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 = 'BDBM123457'   
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 (S1P1)


(Homo sapiens (Human))
BDBM123457
PNG
(US8741923, 16)
Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc2CCN(CC(O)=O)Cc2c1
Show InChI InChI=1S/C28H27N3O4/c1-18-5-3-4-6-24(18)25-10-9-21(14-23(25)17-34-2)28-29-27(30-35-28)20-8-7-19-11-12-31(16-26(32)33)15-22(19)13-20/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,32,33)
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PC cid
PC sid
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Similars

US Patent
0.700n/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...


Citation and Details
More data for this
Ligand-Target Pair