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PubMed code 21570287

Compile data set for download or QSAR
Found 53 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))
BDBM50344797
PNG
(5-(2,5-dichlorophenyl)-N-(4-(hydroxymethyl)-2,6-di...)
Show SMILES Cc1cc(CO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H17Cl2NO3/c1-11-7-13(10-24)8-12(2)19(11)23-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9,24H,10H2,1-2H3,(H,23,25)
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n/an/a 21n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344799
PNG
(CHEMBL1779732 | N-(4-(aminomethyl)-2,6-dimethylphe...)
Show SMILES Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
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n/an/a 25n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344798
PNG
(4-(5-(2,5-dichlorophenyl)furan-2-carboxamido)-3,5-...)
Show SMILES CC(=O)OCc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C22H19Cl2NO4/c1-12-8-15(11-28-14(3)26)9-13(2)21(12)25-22(27)20-7-6-19(29-20)17-10-16(23)4-5-18(17)24/h4-10H,11H2,1-3H3,(H,25,27)
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n/an/a 34n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344816
PNG
(CHEMBL1779919 | N-(4-(hydroxymethyl)-2,6-dimethylp...)
Show SMILES Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cc(CO)cc1C
Show InChI InChI=1S/C19H19NO3S/c1-11-6-7-24-18(11)15-4-5-16(23-15)19(22)20-17-12(2)8-14(10-21)9-13(17)3/h4-9,21H,10H2,1-3H3,(H,20,22)
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n/an/a 34n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344813
PNG
(5-(2,5-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)f...)
Show SMILES CCc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H17Cl2NO2/c1-3-13-6-4-5-12(2)19(13)23-20(24)18-10-9-17(25-18)15-11-14(21)7-8-16(15)22/h4-11H,3H2,1-2H3,(H,23,24)
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n/an/a 41n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344803
PNG
(5-(2,5-dichlorophenyl)-N-(4-(2-hydroxyethoxy)-2,6-...)
Show SMILES Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H19Cl2NO4/c1-12-9-15(27-8-7-25)10-13(2)20(12)24-21(26)19-6-5-18(28-19)16-11-14(22)3-4-17(16)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,26)
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n/an/a 44n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344815
PNG
(CHEMBL1779918 | N-(4-hydroxy-2,6-dimethylphenyl)-5...)
Show SMILES Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cc(O)cc1C
Show InChI InChI=1S/C18H17NO3S/c1-10-6-7-23-17(10)14-4-5-15(22-14)18(21)19-16-11(2)8-13(20)9-12(16)3/h4-9,20H,1-3H3,(H,19,21)
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n/an/a 46n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344796
PNG
(CHEMBL1779891 | N-(4-(2-amino-2-oxoethoxy)-2,6-dim...)
Show SMILES Cc1cc(OCC(N)=O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H18Cl2N2O4/c1-11-7-14(28-10-19(24)26)8-12(2)20(11)25-21(27)18-6-5-17(29-18)15-9-13(22)3-4-16(15)23/h3-9H,10H2,1-2H3,(H2,24,26)(H,25,27)
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n/an/a 52n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344792
PNG
(5-(2,5-dichlorophenyl)-N-(4-hydroxy-2,6-dimethylph...)
Show SMILES Cc1cc(O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-10-7-13(23)8-11(2)18(10)22-19(24)17-6-5-16(25-17)14-9-12(20)3-4-15(14)21/h3-9,23H,1-2H3,(H,22,24)
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n/an/a 58n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344794
PNG
(5-(2,5-dichlorophenyl)-N-mesitylfuran-2-carboxamid...)
Show SMILES Cc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C20H17Cl2NO2/c1-11-8-12(2)19(13(3)9-11)23-20(24)18-7-6-17(25-18)15-10-14(21)4-5-16(15)22/h4-10H,1-3H3,(H,23,24)
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n/an/a 63n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
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 S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
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 S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344793
PNG
(5-(2,5-dichlorophenyl)-N-(4-methoxy-2,6-dimethylph...)
Show SMILES COc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C20H17Cl2NO3/c1-11-8-14(25-3)9-12(2)19(11)23-20(24)18-7-6-17(26-18)15-10-13(21)4-5-16(15)22/h4-10H,1-3H3,(H,23,24)
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n/an/a 80n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62404
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-fur...)
Show SMILES CCc1cccc(CC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H19Cl2NO2/c1-3-13-6-5-7-14(4-2)20(13)24-21(25)19-11-10-18(26-19)16-12-15(22)8-9-17(16)23/h5-12H,3-4H2,1-2H3,(H,24,25)
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n/an/a 89n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344811
PNG
(CHEMBL1779916 | N-(2,6-dimethylphenyl)-5-(3-methyl...)
Show SMILES Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
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n/an/a 93n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344800
PNG
(CHEMBL1779902 | N-(4-(acetamidomethyl)-2,6-dimethy...)
Show SMILES CC(=O)NCc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C22H20Cl2N2O3/c1-12-8-15(11-25-14(3)27)9-13(2)21(12)26-22(28)20-7-6-19(29-20)17-10-16(23)4-5-18(17)24/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28)
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n/an/a 94n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62402
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-diisopropylphenyl)-2...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H23Cl2NO2/c1-13(2)16-6-5-7-17(14(3)4)22(16)26-23(27)21-11-10-20(28-21)18-12-15(24)8-9-19(18)25/h5-14H,1-4H3,(H,26,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344802
PNG
(5-(2,5-dichlorophenyl)-N-(3,5-dimethylbiphenyl-4-y...)
Show SMILES Cc1cc(cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C25H19Cl2NO2/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)24(15)28-25(29)23-11-10-22(30-23)20-14-19(26)8-9-21(20)27/h3-14H,1-2H3,(H,28,29)
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n/an/a 115n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344809
PNG
(CHEMBL1779914 | N-(2,6-dimethylphenyl)-5-(thiophen...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cccs1
Show InChI InChI=1S/C17H15NO2S/c1-11-5-3-6-12(2)16(11)18-17(19)14-9-8-13(20-14)15-7-4-10-21-15/h3-10H,1-2H3,(H,18,19)
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n/an/a 118n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344812
PNG
(CHEMBL1779917 | N-(2,6-dimethylphenyl)-N-methyl-2,...)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccco1)c1c(C)cccc1C
Show InChI InChI=1S/C18H17NO3/c1-12-6-4-7-13(2)17(12)19(3)18(20)16-10-9-15(22-16)14-8-5-11-21-14/h4-11H,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62401
PNG
(5-(2,5-dichlorophenyl)-N-(2-methoxy-6-methyl-pheny...)
Show SMILES COc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-11-4-3-5-16(24-2)18(11)22-19(23)17-9-8-15(25-17)13-10-12(20)6-7-14(13)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 163n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62398
PNG
(5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)-2-fu...)
Show SMILES Cc1ccc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-3-4-12(2)16(9-11)22-19(23)18-8-7-17(24-18)14-10-13(20)5-6-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 165n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62406
PNG
(5-[2,5-bis(chloranyl)phenyl]-N-(2-chloranyl-6-meth...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H12Cl3NO2/c1-10-3-2-4-14(21)17(10)22-18(23)16-8-7-15(24-16)12-9-11(19)5-6-13(12)20/h2-9H,1H3,(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62405
PNG
(5-(2,5-dichlorophenyl)-N-(2-methyl-1-naphthalenyl)...)
Show SMILES Cc1ccc2ccccc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H15Cl2NO2/c1-13-6-7-14-4-2-3-5-16(14)21(13)25-22(26)20-11-10-19(27-20)17-12-15(23)8-9-18(17)24/h2-12H,1H3,(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344804
PNG
(5-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-N-methyl...)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccccc1Cl)c1c(C)cccc1C
Show InChI InChI=1S/C20H18ClNO2/c1-13-7-6-8-14(2)19(13)22(3)20(23)18-12-11-17(24-18)15-9-4-5-10-16(15)21/h4-12H,1-3H3
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n/an/a 269n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62396
PNG
(N-(2,6-dimethylphenyl)-5-(4-methyl-3-thienyl)-2-fu...)
Show SMILES Cc1cscc1-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)17(11)19-18(20)16-8-7-15(21-16)14-10-22-9-13(14)3/h4-10H,1-3H3,(H,19,20)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62403
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethyl-3-methylsul...)
Show SMILES Cc1ccc(c(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C20H17Cl2NO4S/c1-11-4-9-18(28(3,25)26)12(2)19(11)23-20(24)17-8-7-16(27-17)14-10-13(21)5-6-15(14)22/h4-10H,1-3H3,(H,23,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62394
PNG
(5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H15F2NO2/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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344801
PNG
(5-(2,5-dichlorophenyl)-N-(4-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C22H22Cl2N2O2/c1-13-9-15(12-26(3)4)10-14(2)21(13)25-22(27)20-8-7-19(28-20)17-11-16(23)5-6-18(17)24/h5-11H,12H2,1-4H3,(H,25,27)
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n/an/a 348n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62400
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-f...)
Show SMILES COc1cccc(OC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO4/c1-24-15-4-3-5-16(25-2)18(15)22-19(23)17-9-8-14(26-17)12-10-11(20)6-7-13(12)21/h3-10H,1-2H3,(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344808
PNG
(CHEMBL1779913 | N-(2,6-dimethylphenyl)-5-(thiophen...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccsc1
Show InChI InChI=1S/C17H15NO2S/c1-11-4-3-5-12(2)16(11)18-17(19)15-7-6-14(20-15)13-8-9-21-10-13/h3-10H,1-2H3,(H,18,19)
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n/an/a 448n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62395
PNG
(5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)-2-furami...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClNO2/c1-12-5-3-6-13(2)18(12)21-19(22)17-10-9-16(23-17)14-7-4-8-15(20)11-14/h3-11H,1-2H3,(H,21,22)
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n/an/a 497n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344806
PNG
(5-(2,5-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-N-m...)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(o1)C(=O)N(C)c1c(C)cccc1C
Show InChI InChI=1S/C22H23NO4/c1-14-7-6-8-15(2)21(14)23(3)22(24)20-12-11-19(27-20)17-13-16(25-4)9-10-18(17)26-5/h6-13H,1-5H3
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n/an/a 513n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344810
PNG
(5-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccc(Cl)s1
Show InChI InChI=1S/C17H14ClNO2S/c1-10-4-3-5-11(2)16(10)19-17(20)13-7-6-12(21-13)14-8-9-15(18)22-14/h3-9H,1-2H3,(H,19,20)
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n/an/a 515n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344814
PNG
(5-(2,5-dichlorophenyl)-N-(2-(hydroxymethyl)-6-meth...)
Show SMILES Cc1cccc(CO)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-11-3-2-4-12(10-23)18(11)22-19(24)17-8-7-16(25-17)14-9-13(20)5-6-15(14)21/h2-9,23H,10H2,1H3,(H,22,24)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344805
PNG
(CHEMBL1779907 | N-(2,6-dimethylphenyl)-5-phenylfur...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C19H17NO2/c1-13-7-6-8-14(2)18(13)20-19(21)17-12-11-16(22-17)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,20,21)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344791
PNG
(5-(2,5-dichlorophenyl)-N-(4-methoxy-2-methylphenyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C19H15Cl2NO3/c1-11-9-13(24-2)4-6-16(11)22-19(23)18-8-7-17(25-18)14-10-12(20)3-5-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 589n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344790
PNG
(5-(2,5-dichlorophenyl)-N-(5-methoxy-2-methylphenyl...)
Show SMILES COc1ccc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c1
Show InChI InChI=1S/C19H15Cl2NO3/c1-11-3-5-13(24-2)10-16(11)22-19(23)18-8-7-17(25-18)14-9-12(20)4-6-15(14)21/h3-10H,1-2H3,(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM62223
PNG
(5-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-7-6-13(20)10-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344803
PNG
(5-(2,5-dichlorophenyl)-N-(4-(2-hydroxyethoxy)-2,6-...)
Show SMILES Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H19Cl2NO4/c1-12-9-15(27-8-7-25)10-13(2)20(12)24-21(26)19-6-5-18(28-19)16-11-14(22)3-4-17(16)23/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,26)
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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
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344811
PNG
(CHEMBL1779916 | N-(2,6-dimethylphenyl)-5-(3-methyl...)
Show SMILES Cc1ccsc1-c1ccc(o1)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344793
PNG
(5-(2,5-dichlorophenyl)-N-(4-methoxy-2,6-dimethylph...)
Show SMILES COc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
Show InChI InChI=1S/C20H17Cl2NO3/c1-11-8-14(25-3)9-12(2)19(11)23-20(24)18-7-6-17(26-18)15-10-13(21)4-5-16(15)22/h4-10H,1-3H3,(H,23,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344792
PNG
(5-(2,5-dichlorophenyl)-N-(4-hydroxy-2,6-dimethylph...)
Show SMILES Cc1cc(O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-10-7-13(23)8-11(2)18(10)22-19(24)17-6-5-16(25-17)14-9-12(20)3-4-15(14)21/h3-9,23H,1-2H3,(H,22,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50344792
PNG
(5-(2,5-dichlorophenyl)-N-(4-hydroxy-2,6-dimethylph...)
Show SMILES Cc1cc(O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-10-7-13(23)8-11(2)18(10)22-19(24)17-6-5-16(25-17)14-9-12(20)3-4-15(14)21/h3-9,23H,1-2H3,(H,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P5 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344797
PNG
(5-(2,5-dichlorophenyl)-N-(4-(hydroxymethyl)-2,6-di...)
Show SMILES Cc1cc(CO)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H17Cl2NO3/c1-11-7-13(10-24)8-12(2)19(11)23-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9,24H,10H2,1-2H3,(H,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50344799
PNG
(CHEMBL1779732 | N-(4-(aminomethyl)-2,6-dimethylphe...)
Show SMILES Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P2 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50344792
PNG
(5-(2,5-dichlorophenyl)-N-(4-hydroxy-2,6-dimethylph...)
Show SMILES Cc1cc(O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-10-7-13(23)8-11(2)18(10)22-19(24)17-6-5-16(25-17)14-9-12(20)3-4-15(14)21/h3-9,23H,1-2H3,(H,22,24)
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n/an/a 5.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P1 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50344792
PNG
(5-(2,5-dichlorophenyl)-N-(4-hydroxy-2,6-dimethylph...)
Show SMILES Cc1cc(O)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H15Cl2NO3/c1-10-7-13(23)8-11(2)18(10)22-19(24)17-6-5-16(25-17)14-9-12(20)3-4-15(14)21/h3-9,23H,1-2H3,(H,22,24)
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n/an/a 5.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P3 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50344799
PNG
(CHEMBL1779732 | N-(4-(aminomethyl)-2,6-dimethylphe...)
Show SMILES Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
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n/an/a 5.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P5 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50344799
PNG
(CHEMBL1779732 | N-(4-(aminomethyl)-2,6-dimethylphe...)
Show SMILES Cc1cc(CN)cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of S1P1 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344789
PNG
(5-(2,5-dichlorophenyl)-N-(2,6-difluorophenyl)furan...)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H9Cl2F2NO2/c18-9-4-5-11(19)10(8-9)14-6-7-15(24-14)17(23)22-16-12(20)2-1-3-13(16)21/h1-8H,(H,22,23)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50344795
PNG
(5-(2,5-dichlorophenyl)-N-mesityl-N-methylfuran-2-c...)
Show SMILES CN(C(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C21H19Cl2NO2/c1-12-9-13(2)20(14(3)10-12)24(4)21(25)19-8-7-18(26-19)16-11-15(22)5-6-17(16)23/h5-11H,1-4H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TE...


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
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
Inhibition of S1P5 receptor


Bioorg Med Chem Lett 21: 3632-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.097
BindingDB Entry DOI: 10.7270/Q2T1540Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%