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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50005765   
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))
BDBM50494305
PNG
(CHEMBL1979472)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(o1)C1CC1
Show InChI InChI=1S/C20H29NO2/c22-20(19-14-13-18(23-19)15-11-12-15)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-17H,1-12H2
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n/an/an/an/a 7.60E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494306
PNG
(CHEMBL3088205)
Show SMILES CCOc1ccc(cc1OCC)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C26H36N2O4/c1-3-30-23-16-15-19(17-25(23)31-4-2)24-18-22(27-32-24)26(29)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h15-18,20-21H,3-14H2,1-2H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494307
PNG
(CHEMBL1984536)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3
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n/an/an/an/a 859n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494308
PNG
(CHEMBL1973788)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
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n/an/an/an/a 662n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494309
PNG
(CHEMBL3088203)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CCCCC1
Show InChI InChI=1S/C22H34N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h16-19H,1-15H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494310
PNG
(CHEMBL1968913)
Show SMILES CC(C)c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-14(2)18-13-17(20-23-18)19(22)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
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n/an/an/an/a 2.23E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494311
PNG
(CHEMBL3088202)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3,5-6,10-11,14,16H,2,4,7-9,12-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a 7.87E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494312
PNG
(CHEMBL3087666)
Show SMILES O=C(N(Cc1ccccc1)c1ccccc1)c1cc(on1)C1CC1
Show InChI InChI=1S/C20H18N2O2/c23-20(18-13-19(24-21-18)16-11-12-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-10,13,16H,11-12,14H2
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n/an/an/an/a 7.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494313
PNG
(CHEMBL1976353)
Show SMILES O=C(N(C1CCCC1)C1CCCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(16-9-5-6-10-16)15-7-3-1-2-4-8-15/h13-16H,1-12H2
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n/an/an/an/a 2.75E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494314
PNG
(CHEMBL1965004)
Show SMILES CC1CCCCC1N(C1CCCCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-15-8-6-7-11-19(15)23(17-9-4-2-3-5-10-17)21(24)18-14-20(25-22-18)16-12-13-16/h14-17,19H,2-13H2,1H3
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n/an/an/an/a 535n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494315
PNG
(CHEMBL2004782)
Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3
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n/an/an/an/a 337n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494316
PNG
(CHEMBL1975200)
Show SMILES O=C(N(CC1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C20H30N2O2/c23-20(18-13-19(24-21-18)16-11-12-16)22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h13,15-17H,1-12,14H2
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n/an/an/an/a 3.43E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494317
PNG
(CHEMBL1972130)
Show SMILES O=C(N(C1CCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C18H26N2O2/c21-18(16-12-17(22-19-16)13-10-11-13)20(15-8-4-5-9-15)14-6-2-1-3-7-14/h12-15H,1-11H2
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n/an/an/an/a 1.68E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494309
PNG
(CHEMBL3088203)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CCCCC1
Show InChI InChI=1S/C22H34N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h16-19H,1-15H2
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n/an/an/an/a 559n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50494318
PNG
(CHEMBL1970071)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
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n/an/an/an/a>2.50E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494314
PNG
(CHEMBL1965004)
Show SMILES CC1CCCCC1N(C1CCCCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-15-8-6-7-11-19(15)23(17-9-4-2-3-5-10-17)21(24)18-14-20(25-22-18)16-12-13-16/h14-17,19H,2-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494307
PNG
(CHEMBL1984536)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494318
PNG
(CHEMBL1970071)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494310
PNG
(CHEMBL1968913)
Show SMILES CC(C)c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-14(2)18-13-17(20-23-18)19(22)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50494319
PNG
(CHEMBL1969371)
Show SMILES CC1CCCCC1N(C1CCCCC1C)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50494308
PNG
(CHEMBL1973788)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50494318
PNG
(CHEMBL1970071)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494313
PNG
(CHEMBL1976353)
Show SMILES O=C(N(C1CCCC1)C1CCCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(16-9-5-6-10-16)15-7-3-1-2-4-8-15/h13-16H,1-12H2
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n/an/an/an/a 3.42E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494320
PNG
(CHEMBL1995815)
Show SMILES CC1CCCCC1N(C1CCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c1-13-6-2-5-9-17(13)21(15-7-3-4-8-15)19(22)16-12-18(23-20-16)14-10-11-14/h12-15,17H,2-11H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494319
PNG
(CHEMBL1969371)
Show SMILES CC1CCCCC1N(C1CCCCC1C)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494315
PNG
(CHEMBL2004782)
Show SMILES CC1CCCCC1N(C1CCCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C20H30N2O2/c1-14-7-5-6-10-18(14)22(16-8-3-2-4-9-16)20(23)17-13-19(24-21-17)15-11-12-15/h13-16,18H,2-12H2,1H3
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n/an/an/an/a 3.31E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494321
PNG
(CHEMBL1392307)
Show SMILES O=C(NC1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C13H18N2O2/c16-13(14-10-4-2-1-3-5-10)11-8-12(17-15-11)9-6-7-9/h8-10H,1-7H2,(H,14,16)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494319
PNG
(CHEMBL1969371)
Show SMILES CC1CCCCC1N(C1CCCCC1C)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494314
PNG
(CHEMBL1965004)
Show SMILES CC1CCCCC1N(C1CCCCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C21H32N2O2/c1-15-8-6-7-11-19(15)23(17-9-4-2-3-5-10-17)21(24)18-14-20(25-22-18)16-12-13-16/h14-17,19H,2-13H2,1H3
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n/an/an/an/a 4.70E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494322
PNG
(CHEMBL1976643)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1noc2ccccc12
Show InChI InChI=1S/C20H26N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
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n/an/an/an/a>2.50E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494323
PNG
(CHEMBL3088204)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CCCC1
Show InChI InChI=1S/C21H32N2O2/c24-21(19-15-20(25-22-19)16-9-7-8-10-16)23(17-11-3-1-4-12-17)18-13-5-2-6-14-18/h15-18H,1-14H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494321
PNG
(CHEMBL1392307)
Show SMILES O=C(NC1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C13H18N2O2/c16-13(14-10-4-2-1-3-5-10)11-8-12(17-15-11)9-6-7-9/h8-10H,1-7H2,(H,14,16)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494305
PNG
(CHEMBL1979472)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(o1)C1CC1
Show InChI InChI=1S/C20H29NO2/c22-20(19-14-13-18(23-19)15-11-12-15)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-17H,1-12H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494324
PNG
(CHEMBL1989169)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1coc(n1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-23-18(20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494308
PNG
(CHEMBL1973788)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
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n/an/an/an/a 103n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494318
PNG
(CHEMBL1970071)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2
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n/an/an/an/a 105n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494310
PNG
(CHEMBL1968913)
Show SMILES CC(C)c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-14(2)18-13-17(20-23-18)19(22)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
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n/an/an/an/a 959n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494325
PNG
(CHEMBL1999116)
Show SMILES CC(C)Cc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C20H32N2O2/c1-15(2)13-18-14-19(21-24-18)20(23)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h14-17H,3-13H2,1-2H3
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n/an/an/an/a 1.38E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494326
PNG
(CHEMBL1478485)
Show SMILES CCCc1cc(no1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C13H20N2O2/c1-2-6-11-9-12(15-17-11)13(16)14-10-7-4-3-5-8-10/h9-10H,2-8H2,1H3,(H,14,16)
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494327
PNG
(CHEMBL1975908)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCC1)C1CCCCC1
Show InChI InChI=1S/C18H28N2O2/c1-2-8-16-13-17(19-22-16)18(21)20(15-11-6-7-12-15)14-9-4-3-5-10-14/h13-15H,2-12H2,1H3
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n/an/an/an/a 7.99E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a 434n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50494308
PNG
(CHEMBL1973788)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H28N2O2/c25-22(20-16-21(26-23-20)17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494328
PNG
(CHEMBL3088201)
Show SMILES O=C(N(Cc1ccccc1)c1ccccn1)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H17N3O2/c23-19(16-12-17(24-21-16)15-9-10-15)22(18-8-4-5-11-20-18)13-14-6-2-1-3-7-14/h1-8,11-12,15H,9-10,13H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50494317
PNG
(CHEMBL1972130)
Show SMILES O=C(N(C1CCCC1)C1CCCCC1)c1cc(on1)C1CC1
Show InChI InChI=1S/C18H26N2O2/c21-18(16-12-17(22-19-16)13-10-11-13)20(15-8-4-5-9-15)14-6-2-1-3-7-14/h12-15H,1-11H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494320
PNG
(CHEMBL1995815)
Show SMILES CC1CCCCC1N(C1CCCC1)C(=O)c1cc(on1)C1CC1
Show InChI InChI=1S/C19H28N2O2/c1-13-6-2-5-9-17(13)21(15-7-3-4-8-15)19(22)16-12-18(23-20-16)14-10-11-14/h12-15,17H,2-11H2,1H3
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n/an/an/an/a 1.74E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494322
PNG
(CHEMBL1976643)
Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1noc2ccccc12
Show InChI InChI=1S/C20H26N2O2/c23-20(19-17-13-7-8-14-18(17)24-21-19)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50494306
PNG
(CHEMBL3088205)
Show SMILES CCOc1ccc(cc1OCC)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C26H36N2O4/c1-3-30-23-16-15-19(17-25(23)31-4-2)24-18-22(27-32-24)26(29)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h15-18,20-21H,3-14H2,1-2H3
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n/an/an/an/a 8.07E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.075
BindingDB Entry DOI: 10.7270/Q2668H4K
More data for this
Ligand-Target Pair
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