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Compile Data Set for Download or QSAR

Found 141 hits Enz. Inhib. hit(s) with all data for entry = 50048228   
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))		BDBM50208996
PNG
(CHEMBL3884580)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)-c3ccccc3)c2s1
Show InChI InChI=1S/C25H23NO2S/c27-24(28)10-5-15-26-17-22-16-21-8-4-9-23(25(21)29-22)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,26H,5,10,15,17H2,(H,27,28)
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n/an/an/an/a 2.06E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209016
PNG
(CHEMBL3885229)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCC(N)C(O)=O)sc12
Show InChI InChI=1S/C20H22N2O2S/c1-2-13-6-3-4-8-16(13)17-9-5-7-14-10-15(25-19(14)17)11-22-12-18(21)20(23)24/h3-10,18,22H,2,11-12,21H2,1H3,(H,23,24)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209019
PNG
(CHEMBL3883998)
Show SMILES CCc1ccccc1-c1cccc2sc(CNc3ccc(CC(O)=O)cc3)cc12
Show InChI InChI=1S/C25H23NO2S/c1-2-18-6-3-4-7-21(18)22-8-5-9-24-23(22)15-20(29-24)16-26-19-12-10-17(11-13-19)14-25(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
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n/an/an/an/a 2.57E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209020
PNG
(CHEMBL3884077)
Show SMILES OC(=O)Cc1cccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C27H21NO2S/c29-27(30)13-18-4-3-7-24(12-18)28-17-25-16-23-15-22(10-11-26(23)31-25)21-9-8-19-5-1-2-6-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)
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n/an/an/an/a 769n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209021
PNG
(CHEMBL3885187)
Show SMILES CCc1ccccc1-c1cccc2sc(CNCCCCC(O)=O)cc12
Show InChI InChI=1S/C22H25NO2S/c1-2-16-8-3-4-9-18(16)19-10-7-11-21-20(19)14-17(26-21)15-23-13-6-5-12-22(24)25/h3-4,7-11,14,23H,2,5-6,12-13,15H2,1H3,(H,24,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209022
PNG
(CHEMBL3885068)
Show SMILES CCc1ccccc1-c1cccc2sc(CNCc3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C25H23NO2S/c1-2-18-6-3-4-7-21(18)22-8-5-9-24-23(22)14-20(29-24)16-26-15-17-10-12-19(13-11-17)25(27)28/h3-14,26H,2,15-16H2,1H3,(H,27,28)
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n/an/an/an/a 6.70E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209023
PNG
(CHEMBL3885415)
Show SMILES CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(O)=O)c3)sc12
Show InChI InChI=1S/C25H23NO2S/c1-2-18-8-3-4-11-22(18)23-12-6-9-19-15-21(29-25(19)23)16-26-20-10-5-7-17(13-20)14-24(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
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n/an/an/an/a 3.97E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209024
PNG
(CHEMBL3884986)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3cccc4ccccc34)c2s1
Show InChI InChI=1S/C23H21NO2S/c25-22(26)12-5-13-24-15-18-14-17-8-4-11-21(23(17)27-18)20-10-3-7-16-6-1-2-9-19(16)20/h1-4,6-11,14,24H,5,12-13,15H2,(H,25,26)
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n/an/an/an/a 2.32E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209026
PNG
(CHEMBL3883991)
Show SMILES OC(=O)Cc1ccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1
Show InChI InChI=1S/C27H21NO2S/c29-26(30)14-18-8-12-23(13-9-18)28-17-24-16-22-6-3-7-25(27(22)31-24)21-11-10-19-4-1-2-5-20(19)15-21/h1-13,15-16,28H,14,17H2,(H,29,30)
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n/an/an/an/a 1.43E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209027
PNG
(CHEMBL3884038)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C23H21NO2S/c25-22(26)9-4-12-24-15-20-14-19-7-3-8-21(23(19)27-20)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)
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n/an/an/an/a 200n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209028
PNG
(CHEMBL3883812)
Show SMILES OC(=O)CCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO2S/c24-22(25)10-11-23-14-18-13-20-19(6-3-7-21(20)26-18)17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12-13,23H,10-11,14H2,(H,24,25)
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n/an/an/an/a 433n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50209028
PNG
(CHEMBL3883812)
Show SMILES OC(=O)CCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO2S/c24-22(25)10-11-23-14-18-13-20-19(6-3-7-21(20)26-18)17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12-13,23H,10-11,14H2,(H,24,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))		BDBM50209028
PNG
(CHEMBL3883812)
Show SMILES OC(=O)CCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO2S/c24-22(25)10-11-23-14-18-13-20-19(6-3-7-21(20)26-18)17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12-13,23H,10-11,14H2,(H,24,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR2 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209029
PNG
(CHEMBL3884809)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3cccc(c3)-c3ccccc3)c2s1
Show InChI InChI=1S/C25H23NO2S/c27-24(28)13-6-14-26-17-22-16-21-11-5-12-23(25(21)29-22)20-10-4-9-19(15-20)18-7-2-1-3-8-18/h1-5,7-12,15-16,26H,6,13-14,17H2,(H,27,28)
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n/an/an/an/a 331n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209030
PNG
(CHEMBL3883401)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCC(C)C(O)=O)sc12
Show InChI InChI=1S/C21H23NO2S/c1-3-15-7-4-5-9-18(15)19-10-6-8-16-11-17(25-20(16)19)13-22-12-14(2)21(23)24/h4-11,14,22H,3,12-13H2,1-2H3,(H,23,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209031
PNG
(CHEMBL3884172)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCCC(O)=O)sc12
Show InChI InChI=1S/C20H21NO2S/c1-2-14-6-3-4-8-17(14)18-9-5-7-15-12-16(24-20(15)18)13-21-11-10-19(22)23/h3-9,12,21H,2,10-11,13H2,1H3,(H,22,23)
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n/an/an/an/a 2.59E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209032
PNG
(CHEMBL3885035)
Show SMILES CCc1ccccc1-c1cccc2cc(CN3CC(C3)C(O)=O)sc12
Show InChI InChI=1S/C21H21NO2S/c1-2-14-6-3-4-8-18(14)19-9-5-7-15-10-17(25-20(15)19)13-22-11-16(12-22)21(23)24/h3-10,16H,2,11-13H2,1H3,(H,23,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209033
PNG
(CHEMBL3884795)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)C(F)(F)F)c2s1
Show InChI InChI=1S/C20H18F3NO2S/c21-20(22,23)15-8-6-13(7-9-15)17-4-1-3-14-11-16(27-19(14)17)12-24-10-2-5-18(25)26/h1,3-4,6-9,11,24H,2,5,10,12H2,(H,25,26)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209034
PNG
(CHEMBL3883805)
Show SMILES OC(=O)c1ccc(CNCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)cc1
Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-24-15-23-6-3-7-25(26(23)31-24)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209035
PNG
(CHEMBL3883447)
Show SMILES OC(=O)CNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO2S/c23-21(24)13-22-12-17-11-19-18(6-3-7-20(19)25-17)16-9-8-14-4-1-2-5-15(14)10-16/h1-11,22H,12-13H2,(H,23,24)
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n/an/an/an/a 640n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209038
PNG
(CHEMBL3885499)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCCCC(O)=O)sc12
Show InChI InChI=1S/C21H23NO2S/c1-2-15-7-3-4-9-18(15)19-10-5-8-16-13-17(25-21(16)19)14-22-12-6-11-20(23)24/h3-5,7-10,13,22H,2,6,11-12,14H2,1H3,(H,23,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209044
PNG
(CHEMBL3884011)
Show SMILES OC(=O)c1ccc(CNCc2cc3c(cccc3s2)-c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C27H21NO2S/c29-27(30)20-10-8-18(9-11-20)16-28-17-23-15-25-24(6-3-7-26(25)31-23)22-13-12-19-4-1-2-5-21(19)14-22/h1-15,28H,16-17H2,(H,29,30)
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n/an/an/an/a 356n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209067
PNG
(CHEMBL3883621)
Show SMILES OC(=O)CCCCNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H23NO2S/c26-24(27)7-3-4-12-25-16-22-15-21-14-20(10-11-23(21)28-22)19-9-8-17-5-1-2-6-18(17)13-19/h1-2,5-6,8-11,13-15,25H,3-4,7,12,16H2,(H,26,27)
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n/an/an/an/a 724n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209064
PNG
(CHEMBL3885401)
Show SMILES Cc1ccccc1-c1cccc2cc(CNCCCC(O)=O)sc12
Show InChI InChI=1S/C20H21NO2S/c1-14-6-2-3-8-17(14)18-9-4-7-15-12-16(24-20(15)18)13-21-11-5-10-19(22)23/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,22,23)
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n/an/an/an/a 1.35E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209045
PNG
(CHEMBL3884134)
Show SMILES CC(CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(O)=O
Show InChI InChI=1S/C23H21NO2S/c1-15(23(25)26)13-24-14-20-12-19-7-4-8-21(22(19)27-20)18-10-9-16-5-2-3-6-17(16)11-18/h2-12,15,24H,13-14H2,1H3,(H,25,26)
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n/an/an/an/a 887n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209041
PNG
(CHEMBL3884292)
Show SMILES OC(=O)Cc1cccc(NCc2cc3cccc(-c4ccc5ccccc5c4)c3s2)c1
Show InChI InChI=1S/C27H21NO2S/c29-26(30)14-18-5-3-9-23(13-18)28-17-24-16-22-8-4-10-25(27(22)31-24)21-12-11-19-6-1-2-7-20(19)15-21/h1-13,15-16,28H,14,17H2,(H,29,30)
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n/an/an/an/a 1.67E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209043
PNG
(CHEMBL3885468)
Show SMILES OC(=O)CNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO2S/c23-21(24)13-22-12-19-11-18-10-17(7-8-20(18)25-19)16-6-5-14-3-1-2-4-15(14)9-16/h1-11,22H,12-13H2,(H,23,24)
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n/an/an/an/a 350n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209035
PNG
(CHEMBL3883447)
Show SMILES OC(=O)CNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO2S/c23-21(24)13-22-12-17-11-19-18(6-3-7-20(19)25-17)16-9-8-14-4-1-2-5-15(14)10-16/h1-11,22H,12-13H2,(H,23,24)
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n/an/an/an/a 51n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209036
PNG
(CHEMBL3884173)
Show SMILES NC(CNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H20N2O2S/c23-20(22(25)26)13-24-12-19-11-18-10-17(7-8-21(18)27-19)16-6-5-14-3-1-2-4-15(14)9-16/h1-11,20,24H,12-13,23H2,(H,25,26)
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n/an/an/an/a 728n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209020
PNG
(CHEMBL3884077)
Show SMILES OC(=O)Cc1cccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C27H21NO2S/c29-27(30)13-18-4-3-7-24(12-18)28-17-25-16-23-15-22(10-11-26(23)31-25)21-9-8-19-5-1-2-6-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209063
PNG
(CHEMBL3883502)
Show SMILES OC(=O)Cc1ccc(NCc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C27H21NO2S/c29-27(30)13-18-5-10-24(11-6-18)28-17-25-16-23-15-22(9-12-26(23)31-25)21-8-7-19-3-1-2-4-20(19)14-21/h1-12,14-16,28H,13,17H2,(H,29,30)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209061
PNG
(CHEMBL3884888)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cccc2cc(CNCCCC(O)=O)sc12
Show InChI InChI=1S/C23H27NO2S/c1-23(2,3)18-11-9-16(10-12-18)20-7-4-6-17-14-19(27-22(17)20)15-24-13-5-8-21(25)26/h4,6-7,9-12,14,24H,5,8,13,15H2,1-3H3,(H,25,26)
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n/an/an/an/a 5.07E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50209074
PNG
(CHEMBL3885331)
Show SMILES OC(=O)CCCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21NO2S/c25-23(26)9-4-12-24-15-19-14-21-20(7-3-8-22(21)27-19)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR3 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209016
PNG
(CHEMBL3885229)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCC(N)C(O)=O)sc12
Show InChI InChI=1S/C20H22N2O2S/c1-2-13-6-3-4-8-16(13)17-9-5-7-14-10-15(25-19(14)17)11-22-12-18(21)20(23)24/h3-10,18,22H,2,11-12,21H2,1H3,(H,23,24)
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n/an/an/an/a 1.56E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209072
PNG
(CHEMBL3884048)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCCCCC(O)=O)sc12
Show InChI InChI=1S/C22H25NO2S/c1-2-16-8-3-4-10-19(16)20-11-7-9-17-14-18(26-22(17)20)15-23-13-6-5-12-21(24)25/h3-4,7-11,14,23H,2,5-6,12-13,15H2,1H3,(H,24,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209054
PNG
(CHEMBL3885357)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccc2cc(CNCCCC(O)=O)sc12
Show InChI InChI=1S/C24H23NO3S/c1-28-20-10-9-16-12-18(8-7-17(16)13-20)22-5-2-4-19-14-21(29-24(19)22)15-25-11-3-6-23(26)27/h2,4-5,7-10,12-14,25H,3,6,11,15H2,1H3,(H,26,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209055
PNG
(CHEMBL3884995)
Show SMILES CC(CNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C23H21NO2S/c1-15(23(25)26)13-24-14-21-12-20-11-19(8-9-22(20)27-21)18-7-6-16-4-2-3-5-17(16)10-18/h2-12,15,24H,13-14H2,1H3,(H,25,26)
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n/an/an/an/a 232n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209056
PNG
(CHEMBL3883456)
Show SMILES OC(=O)CCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C22H19NO2S/c24-21(25)10-11-23-14-19-13-18-6-3-7-20(22(18)26-19)17-9-8-15-4-1-2-5-16(15)12-17/h1-9,12-13,23H,10-11,14H2,(H,24,25)
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n/an/an/an/a 280n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209052
PNG
(CHEMBL3885275)
Show SMILES OC(=O)CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1
Show InChI InChI=1S/C21H17NO2S/c23-20(24)13-22-12-18-11-17-6-3-7-19(21(17)25-18)16-9-8-14-4-1-2-5-15(14)10-16/h1-11,22H,12-13H2,(H,23,24)
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n/an/an/an/a 272n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50208996
PNG
(CHEMBL3884580)
Show SMILES OC(=O)CCCNCc1cc2cccc(-c3ccc(cc3)-c3ccccc3)c2s1
Show InChI InChI=1S/C25H23NO2S/c27-24(28)10-5-15-26-17-22-16-21-8-4-9-23(25(21)29-22)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,26H,5,10,15,17H2,(H,27,28)
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n/an/an/an/a 6.45E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50209074
PNG
(CHEMBL3885331)
Show SMILES OC(=O)CCCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21NO2S/c25-23(26)9-4-12-24-15-19-14-21-20(7-3-8-22(21)27-19)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209023
PNG
(CHEMBL3885415)
Show SMILES CCc1ccccc1-c1cccc2cc(CNc3cccc(CC(O)=O)c3)sc12
Show InChI InChI=1S/C25H23NO2S/c1-2-18-8-3-4-11-22(18)23-12-6-9-19-15-21(29-25(19)23)16-26-20-10-5-7-17(13-20)14-24(27)28/h3-13,15,26H,2,14,16H2,1H3,(H,27,28)
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n/an/an/an/a 1.19E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209069
PNG
(CHEMBL3883377)
Show SMILES OC(=O)CCCNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21NO2S/c25-23(26)6-3-11-24-15-21-14-20-13-19(9-10-22(20)27-21)18-8-7-16-4-1-2-5-17(16)12-18/h1-2,4-5,7-10,12-14,24H,3,6,11,15H2,(H,25,26)
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n/an/an/an/a 143n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50209070
PNG
(CHEMBL3883572)
Show SMILES OC(=O)CCCCNCc1cc2c(cccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C24H23NO2S/c26-24(27)10-3-4-13-25-16-20-15-22-21(8-5-9-23(22)28-20)19-12-11-17-6-1-2-7-18(17)14-19/h1-2,5-9,11-12,14-15,25H,3-4,10,13,16H2,(H,26,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR3 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50209068
PNG
(CHEMBL3884966)
Show SMILES OC(=O)C1CN(Cc2cc3c(cccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)18-12-24(13-18)14-19-11-21-20(6-3-7-22(21)27-19)17-9-8-15-4-1-2-5-16(15)10-17/h1-11,18H,12-14H2,(H,25,26)
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n/an/an/an/a 175n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209049
PNG
(CHEMBL3884862)
Show SMILES CCc1ccccc1-c1cccc2sc(CNCC(N)C(O)=O)cc12
Show InChI InChI=1S/C20H22N2O2S/c1-2-13-6-3-4-7-15(13)16-8-5-9-19-17(16)10-14(25-19)11-22-12-18(21)20(23)24/h3-10,18,22H,2,11-12,21H2,1H3,(H,23,24)
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n/an/an/an/a 5.76E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50209025
PNG
(CHEMBL3883597)
Show SMILES OC(=O)C1CN(Cc2cc3cc(ccc3s2)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C23H19NO2S/c25-23(26)20-12-24(13-20)14-21-11-19-10-18(7-8-22(19)27-21)17-6-5-15-3-1-2-4-16(15)9-17/h1-11,20H,12-14H2,(H,25,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209048
PNG
(CHEMBL3884740)
Show SMILES CCc1ccccc1-c1cccc2cc(CNCC(O)=O)sc12
Show InChI InChI=1S/C19H19NO2S/c1-2-13-6-3-4-8-16(13)17-9-5-7-14-10-15(23-19(14)17)11-20-12-18(21)22/h3-10,20H,2,11-12H2,1H3,(H,21,22)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50209043
PNG
(CHEMBL3885468)
Show SMILES OC(=O)CNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO2S/c23-21(24)13-22-12-19-11-18-10-17(7-8-20(18)25-19)16-6-5-14-3-1-2-4-15(14)9-16/h1-11,22H,12-13H2,(H,23,24)
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n/an/an/an/a 350n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
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