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PubMed code 17379528

Compile data set for download or QSAR
Found 30 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 1


(Homo sapiens (Human))
BDBM50208895
PNG
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208889
PNG
(sodium 4-[(4-butoxyphenyl)thio]-20-(1,12-dihydroxy...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCCCCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C35H44O6S2/c1-2-3-26-41-29-20-22-30(23-21-29)42-34-24-19-28(27-35(34)43(38,39)40)31-16-13-14-17-32(31)33(37)18-12-10-8-6-4-5-7-9-11-15-25-36/h13-14,16-17,19-24,27,33,36-37H,2-11,15,25-26H2,1H3,(H,38,39,40)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208901
PNG
(CHEMBL239876 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C35H44O7S2/c1-2-3-26-42-29-18-20-30(21-19-29)43-34-22-17-28(27-35(34)44(38,39)40)31-14-9-10-15-32(31)33(37)16-13-25-41-24-12-8-6-4-5-7-11-23-36/h9-10,14-15,17-22,27,33,36-37H,2-8,11-12,23-26H2,1H3,(H,38,39,40)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208900
PNG
(CHEMBL396365 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C37H48O7S2/c1-2-3-28-44-31-20-22-32(23-21-31)45-36-24-19-30(29-37(36)46(40,41)42)33-16-11-12-17-34(33)35(39)18-15-27-43-26-14-10-8-6-4-5-7-9-13-25-38/h11-12,16-17,19-24,29,35,38-39H,2-10,13-14,25-28H2,1H3,(H,40,41,42)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208887
PNG
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208884
PNG
(CHEMBL241104 | sodium 20-(1-hydroxytridec-2-yn-1-y...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C34H42O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-32(35)31-17-15-14-16-30(31)27-19-24-33(34(26-27)41(36,37)38)40-29-22-20-28(21-23-29)39-25-4-2/h14-17,19-24,26,32,35H,3-12,25H2,1-2H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208896
PNG
(CHEMBL397080 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C31H36O7S2/c1-2-3-22-38-25-14-16-26(17-15-25)39-30-18-13-24(23-31(30)40(34,35)36)27-10-5-6-11-28(27)29(33)12-9-21-37-20-8-4-7-19-32/h5-6,10-11,13-18,23,29,32-33H,2-4,7-8,19-22H2,1H3,(H,34,35,36)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208897
PNG
(CHEMBL239874 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H45NO4S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33H,3-13,26,36H2,1-2H3,(H,37,38,39)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208888
PNG
(CHEMBL239867 | sodium 4-(4-ethoxyphenoxy)-20-(1-hy...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-18-31(34)30-17-15-14-16-29(30)26-19-24-32(33(25-26)40(35,36)37)39-28-22-20-27(21-23-28)38-4-2/h14-17,19-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208886
PNG
(CHEMBL239653 | sodium 4-[(4-ethoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C33H40O5S2/c1-3-5-6-7-8-9-10-11-12-13-18-31(34)30-17-15-14-16-29(30)26-19-24-32(33(25-26)40(35,36)37)39-28-22-20-27(21-23-28)38-4-2/h14-17,19-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208895
PNG
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208894
PNG
(CHEMBL277377 | sodium 4-[(4-hexyloxyphenyl)thio]-2...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C37H48O5S2/c1-3-5-7-9-10-11-12-13-14-15-21-35(38)34-20-17-16-19-33(34)30-22-27-36(37(29-30)44(39,40)41)43-32-25-23-31(24-26-32)42-28-18-8-6-4-2/h16-17,19-20,22-27,29,35,38H,3-14,18,28H2,1-2H3,(H,39,40,41)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208882
PNG
(CHEMBL240079 | sodium 20-(1-hydroxytridec-2-yn-1-y...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C32H38O5S2/c1-3-4-5-6-7-8-9-10-11-12-17-30(33)29-16-14-13-15-28(29)25-18-23-31(32(24-25)39(34,35)36)38-27-21-19-26(37-2)20-22-27/h13-16,18-24,30,33H,3-11H2,1-2H3,(H,34,35,36)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208887
PNG
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208893
PNG
(CHEMBL396847 | sodium 4-(4-ethoxyphenoxy)-20-(1-hy...)
Show SMILES CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C36H46O5S2/c1-4-6-8-9-10-11-12-13-14-17-26-36(3,37)33-19-16-15-18-32(33)29-20-25-34(35(28-29)43(38,39)40)42-31-23-21-30(22-24-31)41-27-7-5-2/h15-16,18-25,28,37H,4-14,27H2,1-3H3,(H,38,39,40)/p-1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208883
PNG
(CHEMBL429810 | sodium 2-(4-ethoxyphenoxy)-5-[3-(1-...)
Show SMILES CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C31H38O6S2/c1-3-5-6-7-8-9-10-11-12-13-14-28(32)31-27(21-22-38-31)24-15-20-29(30(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2/h15-23,28,32H,3-12H2,1-2H3,(H,33,34,35)/p-1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208903
PNG
(CHEMBL239873 | sodium 4-[(4-octyloxyphenyl)thio]-2...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C39H52O5S2/c1-3-5-7-9-11-12-13-14-15-17-23-37(40)36-22-19-18-21-35(36)32-24-29-38(39(31-32)46(41,42)43)45-34-27-25-33(26-28-34)44-30-20-16-10-8-6-4-2/h18-19,21-22,24-29,31,37,40H,3-16,20,30H2,1-2H3,(H,41,42,43)/p-1
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n/an/a>2.40E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208899
PNG
(CHEMBL239650 | sodium 4-(4-ethoxyphenoxy)-30-(1-hy...)
Show SMILES CCCCCCCCCCC#CC(O)c1cccc(c1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-17-31(34)28-16-14-15-26(24-28)27-18-23-32(33(25-27)40(35,36)37)39-30-21-19-29(20-22-30)38-4-2/h14-16,18-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50208895
PNG
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208891
PNG
(CHEMBL240078 | sodium 2-(4-ethoxyphenoxy)-5-[5-(1-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccc(s1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C31H38O6S2/c1-3-5-6-7-8-9-10-11-12-13-14-27(32)30-22-21-29(38-30)24-15-20-28(31(23-24)39(33,34)35)37-26-18-16-25(17-19-26)36-4-2/h15-23,27,32H,3-12H2,1-2H3,(H,33,34,35)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50208895
PNG
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208892
PNG
(20-(1-aminotridec-2-yn-1-yl)-4-[(4-butoxyphenyl)th...)
Show SMILES CCCCCCCCCCC#CCc1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C35H44O4S2/c1-3-5-7-8-9-10-11-12-13-14-15-18-29-19-16-17-20-33(29)30-21-26-34(35(28-30)41(36,37)38)40-32-24-22-31(23-25-32)39-27-6-4-2/h16-17,19-26,28H,3-13,18,27H2,1-2H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208898
PNG
(CHEMBL399392 | sodium 4-(2-ethoxyphenoxy)-20-(1-hy...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-20-29(34)28-19-15-14-18-27(28)26-23-24-32(33(25-26)40(35,36)37)39-31-22-17-16-21-30(31)38-4-2/h14-19,21-25,29,34H,3-12H2,1-2H3,(H,35,36,37)/p-1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50208895
PNG
(CHEMBL397081 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C33H40O7S2/c1-2-3-24-40-27-16-18-28(19-17-27)41-32-20-15-26(25-33(32)42(36,37)38)29-12-7-8-13-30(29)31(35)14-11-23-39-22-10-6-4-5-9-21-34/h7-8,12-13,15-20,25,31,34-35H,2-6,9-10,21-24H2,1H3,(H,36,37,38)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50208887
PNG
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208902
PNG
(2-(4-ethoxyphenoxy)-5-(3-octadecyl-5-oxo-4,5-dihyd...)
Show SMILES CCCCCCCCCCCCCCCCCc1cc(=O)n([nH]1)-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O
Show InChI InChI=1S/C34H50N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26-34(37)36(35-28)29-20-25-32(33(27-29)43(38,39)40)42-31-23-21-30(22-24-31)41-4-2/h20-27,35H,3-19H2,1-2H3,(H,38,39,40)/p-1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208890
PNG
(CHEMBL239868 | sodium 4-(3-ethoxyphenoxy)-20-(1-hy...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2cccc(OCC)c2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-21-31(34)30-20-15-14-19-29(30)26-22-23-32(33(24-26)40(35,36)37)39-28-18-16-17-27(25-28)38-4-2/h14-20,22-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1
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Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50208885
PNG
(CHEMBL392155 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCO)cc1 |w:26.28|
Show InChI InChI=1S/C29H32O7S2/c1-2-3-20-36-23-12-14-24(15-13-23)37-28-16-11-22(21-29(28)38(32,33)34)25-8-4-5-9-26(25)27(31)10-6-18-35-19-7-17-30/h4-5,8-9,11-16,21,27,30-31H,2-3,7,17-20H2,1H3,(H,32,33,34)/p-1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50208887
PNG
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50208887
PNG
(CHEMBL239659 | sodium 4-[(4-butoxyphenyl)thio]-20-...)
Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12|
Show InChI InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in CHO cell membrane by FLIPR assay


Bioorg Med Chem 15: 3548-64 (2007)


Article DOI: 10.1016/j.bmc.2007.02.048
BindingDB Entry DOI: 10.7270/Q2NP258T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%