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PubMed code 23141913

Compile data set for download or QSAR
Found 40 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


(Homo sapiens (Human))
BDBM50402726
PNG
(CHEMBL2207790)
Show SMILES CCCCN(C(=O)c1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-2-3-13-28(22(29)19-7-5-4-6-8-19)24-26-25-21(32-24)18-11-9-17(10-12-18)14-27-15-20(16-27)23(30)31/h4-12,20H,2-3,13-16H2,1H3,(H,30,31)
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n/an/an/an/a 1n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402732
PNG
(CHEMBL2207783)
Show SMILES CCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H23FN4O3S/c1-2-11-28(21(29)18-5-3-4-6-19(18)24)23-26-25-20(32-23)16-9-7-15(8-10-16)12-27-13-17(14-27)22(30)31/h3-10,17H,2,11-14H2,1H3,(H,30,31)
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n/an/an/an/a>4.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402725
PNG
(CHEMBL2207791)
Show SMILES CCCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25ClN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 300n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402745
PNG
(CHEMBL2207770)
Show SMILES COCCN(C(=O)c1cccc(F)c1)c1nnc(s1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20FN3O4S/c1-26-10-9-24(19(25)14-5-4-6-15(21)11-14)20-23-22-18(29-20)13-7-8-16(27-2)17(12-13)28-3/h4-8,11-12H,9-10H2,1-3H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50402737
PNG
(CHEMBL2207778)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25FN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 106n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402736
PNG
(CHEMBL2207779)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H27FN4O3S/c1-2-3-13-30(23(31)20-6-4-5-7-21(20)26)25-28-27-22(34-25)18-10-8-17(9-11-18)15-29-14-12-19(16-29)24(32)33/h4-11,19H,2-3,12-16H2,1H3,(H,32,33)
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n/an/an/an/a 485n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402725
PNG
(CHEMBL2207791)
Show SMILES CCCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25ClN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 0.890n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402736
PNG
(CHEMBL2207779)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H27FN4O3S/c1-2-3-13-30(23(31)20-6-4-5-7-21(20)26)25-28-27-22(34-25)18-10-8-17(9-11-18)15-29-14-12-19(16-29)24(32)33/h4-11,19H,2-3,12-16H2,1H3,(H,32,33)
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n/an/an/an/a 1.30n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402741
PNG
(CHEMBL2207774)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1cc(C)c(CCC(O)=O)c(C)c1
Show InChI InChI=1S/C24H26FN3O3S/c1-4-5-12-28(23(31)19-8-6-7-9-20(19)25)24-27-26-22(32-24)17-13-15(2)18(16(3)14-17)10-11-21(29)30/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,29,30)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402744
PNG
(CHEMBL2207771)
Show SMILES COCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C17H15ClN4O2S/c1-24-11-10-22(16(23)13-4-2-3-5-14(13)18)17-21-20-15(25-17)12-6-8-19-9-7-12/h2-9H,10-11H2,1H3
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n/an/an/an/a 6.60E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402746
PNG
(CHEMBL2207769)
Show SMILES CCCCN(C(=O)c1cccc(OC)c1)c1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)15-6-5-7-16(13-15)25-2)19-22-21-17(26-19)14-8-10-20-11-9-14/h5-11,13H,3-4,12H2,1-2H3
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n/an/an/an/a 4.50E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402730
PNG
(CHEMBL2207785)
Show SMILES CC(C)CCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H27FN4O3S/c1-16(2)11-12-30(23(31)20-5-3-4-6-21(20)26)25-28-27-22(34-25)18-9-7-17(8-10-18)13-29-14-19(15-29)24(32)33/h3-10,16,19H,11-15H2,1-2H3,(H,32,33)
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n/an/an/an/a 80n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402727
PNG
(CHEMBL2207788)
Show SMILES CCCCN(C(=O)Cc1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-13-29(22(30)14-18-7-5-4-6-8-18)25-27-26-23(33-25)20-11-9-19(10-12-20)15-28-16-21(17-28)24(31)32/h4-12,21H,2-3,13-17H2,1H3,(H,31,32)
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n/an/an/an/a 2n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402730
PNG
(CHEMBL2207785)
Show SMILES CC(C)CCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H27FN4O3S/c1-16(2)11-12-30(23(31)20-5-3-4-6-21(20)26)25-28-27-22(34-25)18-9-7-17(8-10-18)13-29-14-19(15-29)24(32)33/h3-10,16,19H,11-15H2,1-2H3,(H,32,33)
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n/an/an/an/a 2.17n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402743
PNG
(CHEMBL2207792)
Show SMILES CCCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1C
Show InChI InChI=1S/C25H27ClN4O3S/c1-3-4-11-30(23(31)20-7-5-6-8-21(20)26)25-28-27-22(34-25)19-10-9-17(12-16(19)2)13-29-14-18(15-29)24(32)33/h5-10,12,18H,3-4,11,13-15H2,1-2H3,(H,32,33)
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n/an/an/an/a 1.10n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402738
PNG
(CHEMBL2207777)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C23H25FN4O3S/c1-2-3-14-28(22(31)18-6-4-5-7-19(18)24)23-27-26-21(32-23)17-10-8-16(9-11-17)15-25-13-12-20(29)30/h4-11,25H,2-3,12-15H2,1H3,(H,29,30)
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n/an/an/an/a 700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402733
PNG
(CHEMBL2207782)
Show SMILES CCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H21FN4O3S/c1-2-27(20(28)17-5-3-4-6-18(17)23)22-25-24-19(31-22)15-9-7-14(8-10-15)11-26-12-16(13-26)21(29)30/h3-10,16H,2,11-13H2,1H3,(H,29,30)
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n/an/an/an/a 44n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402743
PNG
(CHEMBL2207792)
Show SMILES CCCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1C
Show InChI InChI=1S/C25H27ClN4O3S/c1-3-4-11-30(23(31)20-7-5-6-8-21(20)26)25-28-27-22(34-25)19-10-9-17(12-16(19)2)13-29-14-18(15-29)24(32)33/h5-10,12,18H,3-4,11,13-15H2,1-2H3,(H,32,33)
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n/an/an/an/a 950n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402734
PNG
(CHEMBL2207781)
Show SMILES CN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H19FN4O3S/c1-25(19(27)16-4-2-3-5-17(16)22)21-24-23-18(30-21)14-8-6-13(7-9-14)10-26-11-15(12-26)20(28)29/h2-9,15H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a>1.60E+4n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50402737
PNG
(CHEMBL2207778)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25FN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 62n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402731
PNG
(CHEMBL2207784)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2nnc(s2)N(CC2CC2)C(=O)c2ccccc2F)C1
Show InChI InChI=1S/C24H23FN4O3S/c25-20-4-2-1-3-19(20)22(30)29(12-16-5-6-16)24-27-26-21(33-24)17-9-7-15(8-10-17)11-28-13-18(14-28)23(31)32/h1-4,7-10,16,18H,5-6,11-14H2,(H,31,32)
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n/an/an/an/a 1.60n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402732
PNG
(CHEMBL2207783)
Show SMILES CCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H23FN4O3S/c1-2-11-28(21(29)18-5-3-4-6-19(18)24)23-26-25-20(32-23)16-9-7-15(8-10-16)12-27-13-17(14-27)22(30)31/h3-10,17H,2,11-14H2,1H3,(H,30,31)
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n/an/an/an/a 4.70n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402747
PNG
(CHEMBL2207793)
Show SMILES CCCCN(C(=O)c1ccccc1Cl)c1nnc(s1)-c1cc(C)c(CN2CC(C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C26H29ClN4O3S/c1-4-5-10-31(24(32)20-8-6-7-9-22(20)27)26-29-28-23(35-26)18-11-16(2)21(17(3)12-18)15-30-13-19(14-30)25(33)34/h6-9,11-12,19H,4-5,10,13-15H2,1-3H3,(H,33,34)
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n/an/an/an/a 0.5n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402733
PNG
(CHEMBL2207782)
Show SMILES CCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C22H21FN4O3S/c1-2-27(20(28)17-5-3-4-6-18(17)23)22-25-24-19(31-22)15-9-7-14(8-10-15)11-26-12-16(13-26)21(29)30/h3-10,16H,2,11-13H2,1H3,(H,29,30)
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n/an/an/an/a>4.00E+4n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402728
PNG
(CHEMBL2207787)
Show SMILES CCCCN(C(=O)c1cccnc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-2-3-11-28(21(29)18-5-4-10-24-12-18)23-26-25-20(32-23)17-8-6-16(7-9-17)13-27-14-19(15-27)22(30)31/h4-10,12,19H,2-3,11,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 47n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402734
PNG
(CHEMBL2207781)
Show SMILES CN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H19FN4O3S/c1-25(19(27)16-4-2-3-5-17(16)22)21-24-23-18(30-21)14-8-6-13(7-9-14)10-26-11-15(12-26)20(28)29/h2-9,15H,10-12H2,1H3,(H,28,29)
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n/an/an/an/a 371n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402737
PNG
(CHEMBL2207778)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25FN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 0.300n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402739
PNG
(CHEMBL2207776)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCC(O)=O)cc1
Show InChI InChI=1S/C22H23FN4O3S/c1-2-3-12-27(21(30)17-6-4-5-7-18(17)23)22-26-25-20(31-22)16-10-8-15(9-11-16)13-24-14-19(28)29/h4-11,24H,2-3,12-14H2,1H3,(H,28,29)
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n/an/an/an/a 56n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402735
PNG
(CHEMBL2207780)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CCC(CC2)C(O)=O)cc1
Show InChI InChI=1S/C26H29FN4O3S/c1-2-3-14-31(24(32)21-6-4-5-7-22(21)27)26-29-28-23(35-26)19-10-8-18(9-11-19)17-30-15-12-20(13-16-30)25(33)34/h4-11,20H,2-3,12-17H2,1H3,(H,33,34)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402726
PNG
(CHEMBL2207790)
Show SMILES CCCCN(C(=O)c1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-2-3-13-28(22(29)19-7-5-4-6-8-19)24-26-25-21(32-24)18-11-9-17(10-12-18)14-27-15-20(16-27)23(30)31/h4-12,20H,2-3,13-16H2,1H3,(H,30,31)
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n/an/an/an/a 4.00E+5n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402731
PNG
(CHEMBL2207784)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2nnc(s2)N(CC2CC2)C(=O)c2ccccc2F)C1
Show InChI InChI=1S/C24H23FN4O3S/c25-20-4-2-1-3-19(20)22(30)29(12-16-5-6-16)24-27-26-21(33-24)17-9-7-15(8-10-17)11-28-13-18(14-28)23(31)32/h1-4,7-10,16,18H,5-6,11-14H2,(H,31,32)
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n/an/an/an/a>2.00E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402737
PNG
(CHEMBL2207778)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H25FN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)
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n/an/an/an/a 300n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402739
PNG
(CHEMBL2207776)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCC(O)=O)cc1
Show InChI InChI=1S/C22H23FN4O3S/c1-2-3-12-27(21(30)17-6-4-5-7-18(17)23)22-26-25-20(31-22)16-10-8-15(9-11-16)13-24-14-19(28)29/h4-11,24H,2-3,12-14H2,1H3,(H,28,29)
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n/an/an/an/a 4.55E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402729
PNG
(CHEMBL2207786)
Show SMILES CCCCN(C(=O)c1ccccc1OC)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O4S/c1-3-4-13-29(23(30)20-7-5-6-8-21(20)33-2)25-27-26-22(34-25)18-11-9-17(10-12-18)14-28-15-19(16-28)24(31)32/h5-12,19H,3-4,13-16H2,1-2H3,(H,31,32)
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n/an/an/an/a 3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402735
PNG
(CHEMBL2207780)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CCC(CC2)C(O)=O)cc1
Show InChI InChI=1S/C26H29FN4O3S/c1-2-3-14-31(24(32)21-6-4-5-7-22(21)27)26-29-28-23(35-26)19-10-8-18(9-11-19)17-30-15-12-20(13-16-30)25(33)34/h4-11,20H,2-3,12-17H2,1H3,(H,33,34)
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n/an/an/an/a 9n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402738
PNG
(CHEMBL2207777)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C23H25FN4O3S/c1-2-3-14-28(22(31)18-6-4-5-7-19(18)24)23-27-26-21(32-23)17-10-8-16(9-11-17)15-25-13-12-20(29)30/h4-11,25H,2-3,12-15H2,1H3,(H,29,30)
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n/an/an/an/a 2.40n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402742
PNG
(CHEMBL2207773)
Show SMILES CCCCN(C(=O)c1cccc(OC)c1)c1nnc(s1)-c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H25N3O4S/c1-3-4-14-26(22(29)18-6-5-7-19(15-18)30-2)23-25-24-21(31-23)17-11-8-16(9-12-17)10-13-20(27)28/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402727
PNG
(CHEMBL2207788)
Show SMILES CCCCN(C(=O)Cc1ccccc1)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-2-3-13-29(22(30)14-18-7-5-4-6-8-18)25-27-26-23(33-25)20-11-9-19(10-12-20)15-28-16-21(17-28)24(31)32/h4-12,21H,2-3,13-17H2,1H3,(H,31,32)
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n/an/an/an/a 7.20E+5n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50402729
PNG
(CHEMBL2207786)
Show SMILES CCCCN(C(=O)c1ccccc1OC)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H28N4O4S/c1-3-4-13-29(23(30)20-7-5-6-8-21(20)33-2)25-27-26-22(34-25)18-11-9-17(10-12-18)14-28-15-19(16-28)24(31)32/h5-12,19H,3-4,13-16H2,1-2H3,(H,31,32)
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n/an/an/an/a 4.27E+5n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50402740
PNG
(CHEMBL2207775)
Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H24FN3O3S/c1-3-4-13-27(22(30)18-7-5-6-8-19(18)24)23-26-25-21(31-23)17-11-9-16(14-15(17)2)10-12-20(28)29/h5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 7672-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.110
BindingDB Entry DOI: 10.7270/Q21837PP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%