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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for monomerid = 50149568   
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))
BDBM50149568
PNG
(CHEMBL3770858)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
Show InChI InChI=1S/C22H24N6O3S/c1-13(2)31-19-5-4-15(10-16(19)11-23)21-24-25-22(32-21)28-14(3)17-12-27(9-7-20(29)30)8-6-18(17)26-28/h4-5,10,13H,6-9,12H2,1-3H3,(H,29,30)
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n/an/an/an/a 3.20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay


J Med Chem 59: 1003-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50149568
PNG
(CHEMBL3770858)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
Show InChI InChI=1S/C22H24N6O3S/c1-13(2)31-19-5-4-15(10-16(19)11-23)21-24-25-22(32-21)28-14(3)17-12-27(9-7-20(29)30)8-6-18(17)26-28/h4-5,10,13H,6-9,12H2,1-3H3,(H,29,30)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay


J Med Chem 59: 1003-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50149568
PNG
(CHEMBL3770858)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
Show InChI InChI=1S/C22H24N6O3S/c1-13(2)31-19-5-4-15(10-16(19)11-23)21-24-25-22(32-21)28-14(3)17-12-27(9-7-20(29)30)8-6-18(17)26-28/h4-5,10,13H,6-9,12H2,1-3H3,(H,29,30)
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in RBL cells by [35S]GTP-gammaS accumulation assay


J Med Chem 59: 1003-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C
More data for this
Ligand-Target Pair