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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 = 'BDBM130390'   
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


(Homo sapiens (Human))
BDBM130390
PNG
(US8822510, 18)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(COCC3(CCCCC3)c3ccc(F)cc3)n2)C1
Show InChI InChI=1S/C27H30FN3O4/c28-23-10-8-22(9-11-23)27(12-2-1-3-13-27)18-34-17-24-29-25(30-35-24)20-6-4-19(5-7-20)14-31-15-21(16-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)
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Similars

US Patent
n/an/a 0.310n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...


US Patent US8822510 (2014)


BindingDB Entry DOI: 10.7270/Q2H70DHC
More data for this
Ligand-Target Pair