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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' and Ligand = 'BDBM506618'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM506618
PNG
((3-amino-1-(4-octylbenzyl)-2-oxopyrrolidin-3-yl)me...)
Show SMILES CCCCCCCCc1ccc(CN2CCC(N)(COP(O)(O)=O)C2=O)cc1
Show InChI InChI=1S/C20H33N2O5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)15-22-14-13-20(21,19(22)23)16-27-28(24,25)26/h9-12H,2-8,13-16,21H2,1H3,(H2,24,25,26)
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PC sid
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US Patent
n/an/an/an/a 41n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(...


US Patent US11046646 (2021)

More data for this
Ligand-Target Pair