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PubMed code 22264485

Compile data set for download or QSAR
Found 64 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50364594
PNG
(CHEMBL1951148)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2cccc(c2)-c2ccccc2)C1
Show InChI InChI=1S/C23H19N3O3S/c27-23(28)19-11-26(12-19)13-20-10-18(14-30-20)21-24-22(29-25-21)17-8-4-7-16(9-17)15-5-2-1-3-6-15/h1-10,14,19H,11-13H2,(H,27,28)
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n/an/an/an/a 850n/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))
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364601
PNG
(CHEMBL1951155)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-2-6-19(7-3-15)30-20-8-4-16(5-9-20)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 110n/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


(Homo sapiens (Human))
BDBM50364602
PNG
(CHEMBL1951156)
Show SMILES Cc1cccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-2-4-20(9-15)30-19-7-5-16(6-8-19)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 200n/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


(Homo sapiens (Human))
BDBM50364605
PNG
(CHEMBL1951159)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-9-19(30-18-5-3-2-4-6-18)7-8-21(15)23-25-22(26-31-23)16-10-20(32-14-16)13-27-11-17(12-27)24(28)29/h2-10,14,17H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 600n/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


(Homo sapiens (Human))
BDBM50364608
PNG
(CHEMBL1951305)
Show SMILES CCCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-2-6-18-13-22(16-29-14-19(15-29)26(30)31)34-23(18)24-27-25(33-28-24)17-9-11-21(12-10-17)32-20-7-4-3-5-8-20/h3-5,7-13,19H,2,6,14-16H2,1H3,(H,30,31)
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n/an/an/an/a 30n/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))
BDBM50364609
PNG
(CHEMBL1951306)
Show SMILES CC(C)c1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-16(2)22-12-21(15-29-13-18(14-29)26(30)31)34-23(22)24-27-25(33-28-24)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-12,16,18H,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.50E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364622
PNG
(CHEMBL1951318)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(OC)c1
Show InChI InChI=1S/C26H25N3O5S/c1-3-16-11-20(15-29-13-18(14-29)26(30)31)35-23(16)24-27-25(34-28-24)17-9-10-21(22(12-17)32-2)33-19-7-5-4-6-8-19/h4-12,18H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364600
PNG
(CHEMBL1951154)
Show SMILES OC(=O)C1CN(Cc2ccc(s2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)16-12-26(13-16)14-19-10-11-20(31-19)21-24-22(30-25-21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,16H,12-14H2,(H,27,28)
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n/an/an/an/a 1n/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


(Homo sapiens (Human))
BDBM50364610
PNG
(CHEMBL1951307)
Show SMILES Cc1cc(sc1CN1CC(C1)C(O)=O)-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-20(32-21(15)14-27-12-17(13-27)24(28)29)22-25-23(31-26-22)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-11,17H,12-14H2,1H3,(H,28,29)
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n/an/an/an/a 25n/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


(Homo sapiens (Human))
BDBM50364616
PNG
(CHEMBL1951313)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2CC)cc1
Show InChI InChI=1S/C27H27N3O4S/c1-3-17-7-5-6-8-23(17)33-21-11-9-19(10-12-21)26-28-25(29-34-26)24-18(4-2)13-22(35-24)16-30-14-20(15-30)27(31)32/h5-13,20H,3-4,14-16H2,1-2H3,(H,31,32)
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n/an/an/an/a 6.5n/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


(Homo sapiens (Human))
BDBM50364619
PNG
(CHEMBL1951315)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2C(C)C)cc1
Show InChI InChI=1S/C28H29N3O4S/c1-4-18-13-22(16-31-14-20(15-31)28(32)33)36-25(18)26-29-27(35-30-26)19-9-11-21(12-10-19)34-24-8-6-5-7-23(24)17(2)3/h5-13,17,20H,4,14-16H2,1-3H3,(H,32,33)
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n/an/an/an/a 4.5n/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


(Homo sapiens (Human))
BDBM50364621
PNG
(CHEMBL1951317)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C25H22ClN3O4S/c1-2-15-10-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-8-9-21(20(26)11-16)32-18-6-4-3-5-7-18/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 5n/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


(Homo sapiens (Human))
BDBM50364622
PNG
(CHEMBL1951318)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(OC)c1
Show InChI InChI=1S/C26H25N3O5S/c1-3-16-11-20(15-29-13-18(14-29)26(30)31)35-23(16)24-27-25(34-28-24)17-9-10-21(22(12-17)32-2)33-19-7-5-4-6-8-19/h4-12,18H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 14n/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))
BDBM50364597
PNG
(CHEMBL1951151)
Show SMILES CCCOc1ccc(cc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C20H21N3O4S/c1-2-7-26-16-5-3-13(4-6-16)19-21-18(22-27-19)14-8-17(28-12-14)11-23-9-15(10-23)20(24)25/h3-6,8,12,15H,2,7,9-11H2,1H3,(H,24,25)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364603
PNG
(CHEMBL1951157)
Show SMILES Cc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-4-2-3-5-21(15)30-19-8-6-16(7-9-19)23-25-22(26-31-23)17-10-20(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 2.00E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364608
PNG
(CHEMBL1951305)
Show SMILES CCCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-2-6-18-13-22(16-29-14-19(15-29)26(30)31)34-23(18)24-27-25(33-28-24)17-9-11-21(12-10-17)32-20-7-4-3-5-8-20/h3-5,7-13,19H,2,6,14-16H2,1H3,(H,30,31)
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n/an/an/an/a 1.30E+4n/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
Sphingosine 1-phosphate receptor


(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


(Homo sapiens (Human))
BDBM50364606
PNG
(CHEMBL1951303)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-20(14-27-12-17(13-27)24(28)29)32-21(15)22-25-23(31-26-22)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-11,17H,12-14H2,1H3,(H,28,29)
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n/an/an/an/a 11n/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


(Homo sapiens (Human))
BDBM50364615
PNG
(CHEMBL1951312)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2C)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-3-17-12-21(15-29-13-19(14-29)26(30)31)34-23(17)24-27-25(33-28-24)18-8-10-20(11-9-18)32-22-7-5-4-6-16(22)2/h4-12,19H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 3n/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 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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364595
PNG
(CHEMBL1951149)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1
Show InChI InChI=1S/C23H19N3O3S/c27-23(28)19-11-26(12-19)13-20-10-18(14-30-20)21-24-22(29-25-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,14,19H,11-13H2,(H,27,28)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364615
PNG
(CHEMBL1951312)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2C)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-3-17-12-21(15-29-13-19(14-29)26(30)31)34-23(17)24-27-25(33-28-24)18-8-10-20(11-9-18)32-22-7-5-4-6-16(22)2/h4-12,19H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 4.50E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364619
PNG
(CHEMBL1951315)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2C(C)C)cc1
Show InChI InChI=1S/C28H29N3O4S/c1-4-18-13-22(16-31-14-20(15-31)28(32)33)36-25(18)26-29-27(35-30-26)19-9-11-21(12-10-19)34-24-8-6-5-7-23(24)17(2)3/h5-13,17,20H,4,14-16H2,1-3H3,(H,32,33)
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n/an/an/an/a 1.10E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364613
PNG
(CHEMBL1951310)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-2-15-11-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-7-9-18(10-8-16)32-21-6-4-3-5-20(21)26/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 6.5n/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


(Homo sapiens (Human))
BDBM50364614
PNG
(CHEMBL1951311)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C26H25N3O5S/c1-3-16-12-20(15-29-13-18(14-29)26(30)31)35-23(16)24-27-25(34-28-24)17-8-10-19(11-9-17)33-22-7-5-4-6-21(22)32-2/h4-12,18H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 4n/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


(Homo sapiens (Human))
BDBM50364618
PNG
(CHEMBL1949690)
Show SMILES CCCCc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C29H31N3O4S/c1-3-5-8-20-9-6-7-10-25(20)35-23-13-11-21(12-14-23)28-30-27(31-36-28)26-19(4-2)15-24(37-26)18-32-16-22(17-32)29(33)34/h6-7,9-15,22H,3-5,8,16-18H2,1-2H3,(H,33,34)
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n/an/an/an/a 9n/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))
BDBM50364596
PNG
(CHEMBL1951150)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(OCc3ccccc3)cc2)C1
Show InChI InChI=1S/C24H21N3O4S/c28-24(29)19-11-27(12-19)13-21-10-18(15-32-21)22-25-23(31-26-22)17-6-8-20(9-7-17)30-14-16-4-2-1-3-5-16/h1-10,15,19H,11-14H2,(H,28,29)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364600
PNG
(CHEMBL1951154)
Show SMILES OC(=O)C1CN(Cc2ccc(s2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)16-12-26(13-16)14-19-10-11-20(31-19)21-24-22(30-25-21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,16H,12-14H2,(H,27,28)
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n/an/an/an/a 900n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364606
PNG
(CHEMBL1951303)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-20(14-27-12-17(13-27)24(28)29)32-21(15)22-25-23(31-26-22)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-11,17H,12-14H2,1H3,(H,28,29)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364610
PNG
(CHEMBL1951307)
Show SMILES Cc1cc(sc1CN1CC(C1)C(O)=O)-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-11-20(32-21(15)14-27-12-17(13-27)24(28)29)22-25-23(31-26-22)16-7-9-19(10-8-16)30-18-5-3-2-4-6-18/h2-11,17H,12-14H2,1H3,(H,28,29)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364612
PNG
(CHEMBL1951309)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H22FN3O4S/c1-2-15-11-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-7-9-18(10-8-16)32-21-6-4-3-5-20(21)26/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364614
PNG
(CHEMBL1951311)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2OC)cc1
Show InChI InChI=1S/C26H25N3O5S/c1-3-16-12-20(15-29-13-18(14-29)26(30)31)35-23(16)24-27-25(34-28-24)17-8-10-19(11-9-17)33-22-7-5-4-6-21(22)32-2/h4-12,18H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.50E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364616
PNG
(CHEMBL1951313)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2CC)cc1
Show InChI InChI=1S/C27H27N3O4S/c1-3-17-7-5-6-8-23(17)33-21-11-9-19(10-12-21)26-28-25(29-34-26)24-18(4-2)13-22(35-24)16-30-14-20(15-30)27(31)32/h5-13,20H,3-4,14-16H2,1-2H3,(H,31,32)
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n/an/an/an/a 1.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364617
PNG
(CHEMBL1951314)
Show SMILES CCCc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C28H29N3O4S/c1-3-7-19-8-5-6-9-24(19)34-22-12-10-20(11-13-22)27-29-26(30-35-27)25-18(4-2)14-23(36-25)17-31-15-21(16-31)28(32)33/h5-6,8-14,21H,3-4,7,15-17H2,1-2H3,(H,32,33)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364621
PNG
(CHEMBL1951317)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C25H22ClN3O4S/c1-2-15-10-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-8-9-21(20(26)11-16)32-18-6-4-3-5-7-18/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364623
PNG
(CHEMBL1951319)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(C)c1
Show InChI InChI=1S/C26H25N3O4S/c1-3-17-12-21(15-29-13-19(14-29)26(30)31)34-23(17)24-27-25(33-28-24)18-9-10-22(16(2)11-18)32-20-7-5-4-6-8-20/h4-12,19H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 6.00E+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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364597
PNG
(CHEMBL1951151)
Show SMILES CCCOc1ccc(cc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C20H21N3O4S/c1-2-7-26-16-5-3-13(4-6-16)19-21-18(22-27-19)14-8-17(28-12-14)11-23-9-15(10-23)20(24)25/h3-6,8,12,15H,2,7,9-11H2,1H3,(H,24,25)
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n/an/an/an/a 60n/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


(Homo sapiens (Human))
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a 4n/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


(Homo sapiens (Human))
BDBM50364617
PNG
(CHEMBL1951314)
Show SMILES CCCc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C28H29N3O4S/c1-3-7-19-8-5-6-9-24(19)34-22-12-10-20(11-13-22)27-29-26(30-35-27)25-18(4-2)14-23(36-25)17-31-15-21(16-31)28(32)33/h5-6,8-14,21H,3-4,7,15-17H2,1-2H3,(H,32,33)
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n/an/an/an/a 13n/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))
BDBM50364598
PNG
(CHEMBL1951152)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)17-11-26(12-17)13-20-10-16(14-31-20)21-24-22(30-25-21)15-6-8-19(9-7-15)29-18-4-2-1-3-5-18/h1-10,14,17H,11-13H2,(H,27,28)
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n/an/an/an/a 4.60E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364602
PNG
(CHEMBL1951156)
Show SMILES Cc1cccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-3-2-4-20(9-15)30-19-7-5-16(6-8-19)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364605
PNG
(CHEMBL1951159)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-9-19(30-18-5-3-2-4-6-18)7-8-21(15)23-25-22(26-31-23)16-10-20(32-14-16)13-27-11-17(12-27)24(28)29/h2-10,14,17H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364624
PNG
(CHEMBL1951147)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C22H16F3N3O3S2/c23-22(24,25)18-16(12-4-2-1-3-5-12)7-17(33-18)20-26-19(27-31-20)13-6-15(32-11-13)10-28-8-14(9-28)21(29)30/h1-7,11,14H,8-10H2,(H,29,30)
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n/an/an/an/a 6.5n/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


(Homo sapiens (Human))
BDBM50364612
PNG
(CHEMBL1951309)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C25H22FN3O4S/c1-2-15-11-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-7-9-18(10-8-16)32-21-6-4-3-5-20(21)26/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 8.5n/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))
BDBM50364604
PNG
(CHEMBL1951158)
Show SMILES Cc1cc(ccc1Oc1ccccc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-9-16(7-8-21(15)30-19-5-3-2-4-6-19)23-25-22(26-31-23)17-10-20(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 3.00E+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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364596
PNG
(CHEMBL1951150)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(OCc3ccccc3)cc2)C1
Show InChI InChI=1S/C24H21N3O4S/c28-24(29)19-11-27(12-19)13-21-10-18(15-32-21)22-25-23(31-26-22)17-6-8-20(9-7-17)30-14-16-4-2-1-3-5-16/h1-10,15,19H,11-14H2,(H,28,29)
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n/an/an/an/a>2.00E+4n/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


(Homo sapiens (Human))
BDBM50364599
PNG
(CHEMBL1951153)
Show SMILES OC(=O)C1CN(Cc2csc(c2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)17-12-26(13-17)11-15-10-20(31-14-15)21-24-22(30-25-21)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-10,14,17H,11-13H2,(H,27,28)
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n/an/an/an/a 34n/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


(Homo sapiens (Human))
BDBM50364603
PNG
(CHEMBL1951157)
Show SMILES Cc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-4-2-3-5-21(15)30-19-8-6-16(7-9-19)23-25-22(26-31-23)17-10-20(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 35n/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


(Homo sapiens (Human))
BDBM50364604
PNG
(CHEMBL1951158)
Show SMILES Cc1cc(ccc1Oc1ccccc1)-c1nc(no1)-c1csc(CN2CC(C2)C(O)=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-15-9-16(7-8-21(15)30-19-5-3-2-4-6-19)23-25-22(26-31-23)17-10-20(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 21n/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))
BDBM50364624
PNG
(CHEMBL1951147)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C22H16F3N3O3S2/c23-22(24,25)18-16(12-4-2-1-3-5-12)7-17(33-18)20-26-19(27-31-20)13-6-15(32-11-13)10-28-8-14(9-28)21(29)30/h1-7,11,14H,8-10H2,(H,29,30)
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n/an/an/an/a 800n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364601
PNG
(CHEMBL1951155)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)cc1
Show InChI InChI=1S/C24H21N3O4S/c1-15-2-6-19(7-3-15)30-20-8-4-16(5-9-20)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 1.20E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364611
PNG
(CHEMBL1951308)
Show SMILES CCc1cc(sc1CN1CC(C1)C(O)=O)-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(33-22(16)15-28-13-18(14-28)25(29)30)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364613
PNG
(CHEMBL1951310)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2Cl)cc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-2-15-11-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-7-9-18(10-8-16)32-21-6-4-3-5-20(21)26/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364618
PNG
(CHEMBL1949690)
Show SMILES CCCCc1ccccc1Oc1ccc(cc1)-c1nc(no1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C29H31N3O4S/c1-3-5-8-20-9-6-7-10-25(20)35-23-13-11-21(12-14-23)28-30-27(31-36-28)26-19(4-2)15-24(37-26)18-32-16-22(17-32)29(33)34/h6-7,9-15,22H,3-5,8,16-18H2,1-2H3,(H,33,34)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364620
PNG
(CHEMBL1951316)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(F)c1
Show InChI InChI=1S/C25H22FN3O4S/c1-2-15-10-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-8-9-21(20(26)11-16)32-18-6-4-3-5-7-18/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364595
PNG
(CHEMBL1951149)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1
Show InChI InChI=1S/C23H19N3O3S/c27-23(28)19-11-26(12-19)13-20-10-18(14-30-20)21-24-22(29-25-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,14,19H,11-13H2,(H,27,28)
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n/an/an/an/a 30n/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


(Homo sapiens (Human))
BDBM50364609
PNG
(CHEMBL1951306)
Show SMILES CC(C)c1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4S/c1-16(2)22-12-21(15-29-13-18(14-29)26(30)31)34-23(22)24-27-25(33-28-24)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-12,16,18H,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 75n/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


(Homo sapiens (Human))
BDBM50364611
PNG
(CHEMBL1951308)
Show SMILES CCc1cc(sc1CN1CC(C1)C(O)=O)-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(33-22(16)15-28-13-18(14-28)25(29)30)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a 12n/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


(Homo sapiens (Human))
BDBM50364620
PNG
(CHEMBL1951316)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(F)c1
Show InChI InChI=1S/C25H22FN3O4S/c1-2-15-10-19(14-29-12-17(13-29)25(30)31)34-22(15)23-27-24(33-28-23)16-8-9-21(20(26)11-16)32-18-6-4-3-5-7-18/h3-11,17H,2,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 5n/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


(Homo sapiens (Human))
BDBM50364623
PNG
(CHEMBL1951319)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)c(C)c1
Show InChI InChI=1S/C26H25N3O4S/c1-3-17-12-21(15-29-13-19(14-29)26(30)31)34-23(17)24-27-25(33-28-24)18-9-10-22(16(2)11-18)32-20-7-5-4-6-8-20/h4-12,19H,3,13-15H2,1-2H3,(H,30,31)
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n/an/an/an/a 7.5n/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))
BDBM50364594
PNG
(CHEMBL1951148)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2cccc(c2)-c2ccccc2)C1
Show InChI InChI=1S/C23H19N3O3S/c27-23(28)19-11-26(12-19)13-20-10-18(14-30-20)21-24-22(29-25-21)17-8-4-7-16(9-17)15-5-2-1-3-6-15/h1-10,14,19H,11-13H2,(H,27,28)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50364599
PNG
(CHEMBL1951153)
Show SMILES OC(=O)C1CN(Cc2csc(c2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)17-12-26(13-17)11-15-10-20(31-14-15)21-24-22(30-25-21)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-10,14,17H,11-13H2,(H,27,28)
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n/an/an/an/a>2.00E+4n/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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50364598
PNG
(CHEMBL1951152)
Show SMILES OC(=O)C1CN(Cc2cc(cs2)-c2noc(n2)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C23H19N3O4S/c27-23(28)17-11-26(12-17)13-20-10-16(14-31-20)21-24-22(30-25-21)15-6-8-19(9-7-15)29-18-4-2-1-3-5-18/h1-10,14,17H,11-13H2,(H,27,28)
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n/an/an/an/a 8.5n/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
* indicates data uncertainty>20%