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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50045328   
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))
BDBM50045328
PNG
(CHEMBL3311350)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r|
Show InChI InChI=1S/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045328
PNG
(CHEMBL3311350)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r|
Show InChI InChI=1S/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/m1/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair