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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 50158349   
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))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 0.200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 4.20n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 1788-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Z038MT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 1788-92 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.019
BindingDB Entry DOI: 10.7270/Q2Z038MT
More data for this
Ligand-Target Pair