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PubMed code 21783362

Compile data set for download or QSAR
Found 17 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 4


(Homo sapiens (Human))
BDBM50352103
PNG
(CHEMBL1824254)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NOS/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344807
PNG
(5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a 64n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352108
PNG
(CHEMBL1824259)
Show SMILES Cc1ccc(C)c(c1)-c1cccc(c1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C23H23NO/c1-15-11-12-16(2)21(13-15)19-9-6-10-20(14-19)23(25)24-22-17(3)7-5-8-18(22)4/h5-14H,1-4H3,(H,24,25)
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n/an/a 75n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62407
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 78n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352106
PNG
(CHEMBL1824257)
Show SMILES Cc1cc(oc1C(=O)Nc1c(C)cccc1C)-c1cc(C)ccc1C
Show InChI InChI=1S/C22H23NO2/c1-13-9-10-14(2)18(11-13)19-12-17(5)21(25-19)22(24)23-20-15(3)7-6-8-16(20)4/h6-12H,1-5H3,(H,23,24)
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n/an/a 173n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352105
PNG
(CHEMBL1824256)
Show SMILES Cc1ccc(C)c(c1)-c1coc(c1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)18(10-13)17-11-19(24-12-17)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a 211n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352104
PNG
(CHEMBL1824255)
Show SMILES Cc1ccc(C)c(c1)-c1cc(co1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)18(10-13)19-11-17(12-24-19)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a 233n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352107
PNG
(CHEMBL1824258)
Show SMILES Cc1cc(oc1-c1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H23NO2/c1-13-9-10-14(2)18(11-13)21-17(5)12-19(25-21)22(24)23-20-15(3)7-6-8-16(20)4/h6-12H,1-5H3,(H,23,24)
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n/an/a 911n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50352103
PNG
(CHEMBL1824254)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NOS/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P2 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352109
PNG
(CHEMBL1824260)
Show SMILES Cc1ccc(C)c(c1)-c1cc(ccc1C)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C24H25NO/c1-15-9-10-16(2)21(13-15)22-14-20(12-11-17(22)3)24(26)25-23-18(4)7-6-8-19(23)5/h6-14H,1-5H3,(H,25,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50352102
PNG
(CHEMBL1824253)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(C(=O)Nc2c(C)cccc2C)n1C
Show InChI InChI=1S/C22H24N2O/c1-14-9-10-15(2)18(13-14)19-11-12-20(24(19)5)22(25)23-21-16(3)7-6-8-17(21)4/h6-13H,1-5H3,(H,23,25)
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n/an/a 6.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16...


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM62407
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P5 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM62407
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P3 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50344807
PNG
(5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P3 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50344807
PNG
(5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P5 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM62407
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-10-13(20)6-7-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P1 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50344807
PNG
(5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)furan...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C21H21NO2/c1-13-8-9-14(2)17(12-13)18-10-11-19(24-18)21(23)22-20-15(3)6-5-7-16(20)4/h5-12H,1-4H3,(H,22,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P1 receptor


Bioorg Med Chem Lett 21: 5470-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.132
BindingDB Entry DOI: 10.7270/Q2930TH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%