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PubMed code 16682185

Compile data set for download or QSAR
Found 76 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 1


(Homo sapiens (Human))
BDBM50186385
PNG
(3-(4-(5-(3-cyano-4-(2,2-difluoroethoxy)phenyl)-1,3...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(F)F)c(c1)C#N
Show InChI InChI=1S/C21H17F2N3O3S/c1-12-8-13(3-7-19(27)28)2-5-16(12)21-26-25-20(30-21)14-4-6-17(15(9-14)10-24)29-11-18(22)23/h2,4-6,8-9,18H,3,7,11H2,1H3,(H,27,28)
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n/an/an/an/a 1.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186381
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a 380n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186381
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186404
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)19-23-18(24-28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 0.730n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186393
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-5...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-n1nnc(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-17(11-16(19)12-22)26-24-21(23-25-26)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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n/an/an/an/a 43n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186395
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,3,4-oxadiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)21-24-25-22(29-21)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186379
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)furan-2-yl)-3-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO4/c1-15(2)28-22-8-6-18(13-19(22)14-25)21-9-10-23(29-21)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186391
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1-methyl-1H-p...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C25H26N2O3/c1-16(2)30-24-11-7-19(14-20(24)15-26)22-9-10-23(27(22)4)21-8-5-18(13-17(21)3)6-12-25(28)29/h5,7-11,13-14,16H,6,12H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186392
PNG
(3-(4-(5-(3-cyano-4-(3,3,3-trifluoropropoxy)phenyl)...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCCC(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C22H18F3N3O3S/c1-13-10-14(3-7-19(29)30)2-5-17(13)21-28-27-20(32-21)15-4-6-18(16(11-15)12-26)31-9-8-22(23,24)25/h2,4-6,10-11H,3,7-9H2,1H3,(H,29,30)
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n/an/an/an/a 7.70n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186396
PNG
(3-(4-(4-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1csc(c1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)20-12-23(29-14-20)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186391
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1-methyl-1H-p...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C25H26N2O3/c1-16(2)30-24-11-7-19(14-20(24)15-26)22-9-10-23(27(22)4)21-8-5-18(13-17(21)3)6-12-25(28)29/h5,7-11,13-14,16H,6,12H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186407
PNG
(3-(4-(2-(5-chloro-6-isopropoxypyridin-3-yl)oxazol-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(co1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-12(2)28-21-17(22)9-15(10-23-21)20-24-18(11-27-20)16-6-4-14(8-13(16)3)5-7-19(25)26/h4,6,8-12H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186412
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,3,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O3S/c1-11(2)27-18-16(21)9-14(10-22-18)19-23-24-20(28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186379
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)furan-2-yl)-3-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO4/c1-15(2)28-22-8-6-18(13-19(22)14-25)21-9-10-23(29-21)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186415
PNG
(3-(4-(5-(3-cyano-4-(1,3-difluoropropan-2-yloxy)phe...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OC(CF)CF)c(c1)C#N
Show InChI InChI=1S/C22H19F2N3O3S/c1-13-8-14(3-7-20(28)29)2-5-18(13)22-27-26-21(31-22)15-4-6-19(16(9-15)12-25)30-17(10-23)11-24/h2,4-6,8-9,17H,3,7,10-11H2,1H3,(H,28,29)
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n/an/an/an/a 0.230n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186390
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-3-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cc(cs1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)23-12-20(14-29-23)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186384
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methylthiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1sc(nc1C)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H24N2O3S/c1-14(2)29-21-9-7-18(12-19(21)13-25)23-16(4)26-24(30-23)20-8-5-17(11-15(20)3)6-10-22(27)28/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,27,28)
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Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186377
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-2...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnn(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-16(11-17(19)12-22)21-23-25-26(24-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186382
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)thiazol-5-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ncc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)23-25-13-21(29-23)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 14n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186397
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-21-8-6-18(13-19(21)14-25)22-9-10-23(29-22)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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n/an/an/an/a 0.930n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186409
PNG
(3-(4-(5-(4-sec-butoxy-3-cyanophenyl)-1,3,4-thiadia...)
Show SMILES CCC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O3S/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)22-25-26-23(30-22)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)
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n/an/an/an/a 0.280n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186397
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-21-8-6-18(13-19(21)14-25)22-9-10-23(29-22)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186405
PNG
(3-(4-(5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadia...)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26)
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n/an/an/an/a 940n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186378
PNG
(3-(4-(5-(3-cyano-4-(1,1,1,3,3,3-hexafluoropropan-2...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OC(C(F)(F)F)C(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C22H15F6N3O3S/c1-11-8-12(3-7-17(32)33)2-5-15(11)19-31-30-18(35-19)13-4-6-16(14(9-13)10-29)34-20(21(23,24)25)22(26,27)28/h2,4-6,8-9,20H,3,7H2,1H3,(H,32,33)
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n/an/an/an/a 38n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186382
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)thiazol-5-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ncc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)23-25-13-21(29-23)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186381
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4H-1,2,4-tria...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc([nH]1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H22N4O3/c1-13(2)29-19-8-6-16(11-17(19)12-23)21-24-22(26-25-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186383
PNG
(3-(4-(5-(3-cyano-4-(cyanomethoxy)phenyl)-1,3,4-thi...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC#N)c(c1)C#N
Show InChI InChI=1S/C21H16N4O3S/c1-13-10-14(3-7-19(26)27)2-5-17(13)21-25-24-20(29-21)15-4-6-18(28-9-8-22)16(11-15)12-23/h2,4-6,10-11H,3,7,9H2,1H3,(H,26,27)
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n/an/an/an/a 45n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186384
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methylthiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1sc(nc1C)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H24N2O3S/c1-14(2)29-21-9-7-18(12-19(21)13-25)23-16(4)26-24(30-23)20-8-5-17(11-15(20)3)6-10-22(27)28/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186398
PNG
(3-(4-(5-(4-(carboxymethoxy)-3-cyanophenyl)-1,3,4-t...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(O)=O)c(c1)C#N
Show InChI InChI=1S/C21H17N3O5S/c1-12-8-13(3-7-18(25)26)2-5-16(12)21-24-23-20(30-21)14-4-6-17(15(9-14)10-22)29-11-19(27)28/h2,4-6,8-9H,3,7,11H2,1H3,(H,25,26)(H,27,28)
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n/an/an/an/a 360n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186404
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)19-23-18(24-28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 950n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM22223
PNG
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 0.100n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186390
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-3-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cc(cs1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)23-12-20(14-29-23)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186377
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-2...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnn(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-16(11-17(19)12-22)21-23-25-26(24-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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n/an/an/an/a 150n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186413
PNG
(3-(4-(5-(3-cyano-4-cyclobutoxyphenyl)-1,3,4-thiadi...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OC2CCC2)c(c1)C#N
Show InChI InChI=1S/C23H21N3O3S/c1-14-11-15(6-10-21(27)28)5-8-19(14)23-26-25-22(30-23)16-7-9-20(17(12-16)13-24)29-18-3-2-4-18/h5,7-9,11-12,18H,2-4,6,10H2,1H3,(H,27,28)
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n/an/an/an/a 0.790n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186416
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,3,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)18-23-24-19(28-18)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 19n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186412
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,3,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O3S/c1-11(2)27-18-16(21)9-14(10-22-18)19-23-24-20(28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 2.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186377
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-2...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnn(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-16(11-17(19)12-22)21-23-25-26(24-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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n/an/an/an/a 0.980n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186386
PNG
(3-(4-(5-(3-cyano-4-methoxyphenyl)-1,3,4-thiadiazol...)
Show SMILES COc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H17N3O3S/c1-12-9-13(4-8-18(24)25)3-6-16(12)20-23-22-19(27-20)14-5-7-17(26-2)15(10-14)11-21/h3,5-7,9-10H,4,8H2,1-2H3,(H,24,25)
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n/an/an/an/a 97n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186379
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)furan-2-yl)-3-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO4/c1-15(2)28-22-8-6-18(13-19(22)14-25)21-9-10-23(29-21)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186389
PNG
(3-(4-(5-(3-cyano-4-(2,2,2-trifluoroethoxy)phenyl)-...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C21H16F3N3O3S/c1-12-8-13(3-7-18(28)29)2-5-16(12)20-27-26-19(31-20)14-4-6-17(15(9-14)10-25)30-11-21(22,23)24/h2,4-6,8-9H,3,7,11H2,1H3,(H,28,29)
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n/an/an/an/a 0.600n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186388
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)oxazol-2-yl)-3...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O4/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 5.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186387
PNG
(3-(4-(5-(3-cyano-4-isobutoxyphenyl)-1,3,4-thiadiaz...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O3S/c1-14(2)13-29-20-8-6-17(11-18(20)12-24)22-25-26-23(30-22)19-7-4-16(10-15(19)3)5-9-21(27)28/h4,6-8,10-11,14H,5,9,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 2.80n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186382
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)thiazol-5-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ncc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)23-25-13-21(29-23)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 200n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186399
PNG
(3-(4-(5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl)-3-m...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1cccc(c1)C#N
Show InChI InChI=1S/C19H15N3O2S/c1-12-9-13(6-8-17(23)24)5-7-16(12)19-22-21-18(25-19)15-4-2-3-14(10-15)11-20/h2-5,7,9-10H,6,8H2,1H3,(H,23,24)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186408
PNG
(3-(4-(5-(3-cyano-4-(thiophen-2-yl)phenyl)-1,3,4-th...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(-c2cccs2)c(c1)C#N
Show InChI InChI=1S/C23H17N3O2S2/c1-14-11-15(5-9-21(27)28)4-7-18(14)23-26-25-22(30-23)16-6-8-19(17(12-16)13-24)20-3-2-10-29-20/h2-4,6-8,10-12H,5,9H2,1H3,(H,27,28)
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n/an/an/an/a 1.90n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186410
PNG
(3-(4-(5-(3-cyano-4-(cyclopropylmethoxy)phenyl)-1,3...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCC2CC2)c(c1)C#N
Show InChI InChI=1S/C23H21N3O3S/c1-14-10-15(5-9-21(27)28)4-7-19(14)23-26-25-22(30-23)17-6-8-20(18(11-17)12-24)29-13-16-2-3-16/h4,6-8,10-11,16H,2-3,5,9,13H2,1H3,(H,27,28)
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n/an/an/an/a 0.610n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186414
PNG
(3-(4-(5-(4-acetoxy-3-cyanophenyl)-1,3,4-thiadiazol...)
Show SMILES CC(=O)Oc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H17N3O4S/c1-12-9-14(4-8-19(26)27)3-6-17(12)21-24-23-20(29-21)15-5-7-18(28-13(2)25)16(10-15)11-22/h3,5-7,9-10H,4,8H2,1-2H3,(H,26,27)
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n/an/an/an/a 94n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186391
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1-methyl-1H-p...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C25H26N2O3/c1-16(2)30-24-11-7-19(14-20(24)15-26)22-9-10-23(27(22)4)21-8-5-18(13-17(21)3)6-12-25(28)29/h5,7-11,13-14,16H,6,12H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186390
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-3-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cc(cs1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)23-12-20(14-29-23)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186393
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-5...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-n1nnc(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-17(11-16(19)12-22)26-24-21(23-25-26)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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n/an/an/an/a 1.60n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186396
PNG
(3-(4-(4-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1csc(c1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)20-12-23(29-14-20)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186394
PNG
(3-(4-(5-(3-cyano-4-ethoxyphenyl)-1,3,4-thiadiazol-...)
Show SMILES CCOc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H19N3O3S/c1-3-27-18-8-6-15(11-16(18)12-22)20-23-24-21(28-20)17-7-4-14(10-13(17)2)5-9-19(25)26/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,25,26)
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n/an/an/an/a 2.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186395
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,3,4-oxadiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)21-24-25-22(29-21)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 460n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186401
PNG
(3-(4-(5-(3-cyano-4-isobutylphenyl)-1,3,4-thiadiazo...)
Show SMILES CC(C)Cc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O2S/c1-14(2)10-17-6-7-18(12-19(17)13-24)22-25-26-23(29-22)20-8-4-16(11-15(20)3)5-9-21(27)28/h4,6-8,11-12,14H,5,9-10H2,1-3H3,(H,27,28)
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n/an/an/an/a 0.160n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186396
PNG
(3-(4-(4-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1csc(c1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-22-8-6-18(11-19(22)13-25)20-12-23(29-14-20)21-7-4-17(10-16(21)3)5-9-24(26)27/h4,6-8,10-12,14-15H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 290n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186402
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiazol-2-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 0.180n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186411
PNG
(3-(4-(5-(3-cyano-4-(2-fluoroethoxy)phenyl)-1,3,4-t...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(OCCF)c(c1)C#N
Show InChI InChI=1S/C21H18FN3O3S/c1-13-10-14(3-7-19(26)27)2-5-17(13)21-25-24-20(29-21)15-4-6-18(28-9-8-22)16(11-15)12-23/h2,4-6,10-11H,3,7-9H2,1H3,(H,26,27)
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n/an/an/an/a 9.5n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186395
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,3,4-oxadiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)21-24-25-22(29-21)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 1.10n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM22223
PNG
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 110n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186380
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186380
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186397
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiophen-2-yl)...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1ccc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H23NO3S/c1-15(2)28-21-8-6-18(13-19(21)14-25)22-9-10-23(29-22)20-7-4-17(12-16(20)3)5-11-24(26)27/h4,6-10,12-13,15H,5,11H2,1-3H3,(H,26,27)
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n/an/an/an/a 220n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186384
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methylthiaz...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1sc(nc1C)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C24H24N2O3S/c1-14(2)29-21-9-7-18(12-19(21)13-25)23-16(4)26-24(30-23)20-8-5-17(11-15(20)3)6-10-22(27)28/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,27,28)
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n/an/an/an/a>3.60E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186405
PNG
(3-(4-(5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadia...)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26)
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n/an/an/an/a 0.150n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186380
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-4-methyl-4H-1...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(-c2ccc(CCC(O)=O)cc2C)n1C
Show InChI InChI=1S/C23H24N4O3/c1-14(2)30-20-9-7-17(12-18(20)13-24)22-25-26-23(27(22)4)19-8-5-16(11-15(19)3)6-10-21(28)29/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186388
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)oxazol-2-yl)-3...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O4/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM22223
PNG
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 13n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186400
PNG
(3-(4-(5-(3-cyano-4-fluorophenyl)-1,3,4-thiadiazol-...)
Show SMILES Cc1cc(CCC(O)=O)ccc1-c1nnc(s1)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C19H14FN3O2S/c1-11-8-12(3-7-17(24)25)2-5-15(11)19-23-22-18(26-19)13-4-6-16(20)14(9-13)10-21/h2,4-6,8-9H,3,7H2,1H3,(H,24,25)
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n/an/an/an/a 570n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186402
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiazol-2-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186403
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,3,4-thiadia...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O3S/c1-13(2)28-19-8-6-16(11-17(19)12-23)21-24-25-22(29-21)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 0.200n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186405
PNG
(3-(4-(5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadia...)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26)
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n/an/an/an/a 73n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50186406
PNG
(3-(4-(5-(3-cyano-4-propoxyphenyl)-1,3,4-thiadiazol...)
Show SMILES CCCOc1ccc(cc1C#N)-c1nnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O3S/c1-3-10-28-19-8-6-16(12-17(19)13-23)21-24-25-22(29-21)18-7-4-15(11-14(18)2)5-9-20(26)27/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.40n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186402
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)thiazol-2-yl)-...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(s1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O3S/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 120n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50186404
PNG
(3-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-...)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C20H20ClN3O4/c1-11(2)27-20-16(21)9-14(10-22-20)19-23-18(24-28-19)15-6-4-13(8-12(15)3)5-7-17(25)26/h4,6,8-11H,5,7H2,1-3H3,(H,25,26)
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n/an/an/an/a 950n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P5 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186388
PNG
(3-(4-(5-(3-cyano-4-isopropoxyphenyl)oxazol-2-yl)-3...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1cnc(o1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H22N2O4/c1-14(2)28-20-8-6-17(11-18(20)12-24)21-13-25-23(29-21)19-7-4-16(10-15(19)3)5-9-22(26)27/h4,6-8,10-11,13-14H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50186393
PNG
(3-(4-(2-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-5...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-n1nnc(n1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-17(11-16(19)12-22)26-24-21(23-25-26)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)
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UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at S1P3 receptor assessed as induction of [35S]GTPgammaS binding


Bioorg Med Chem Lett 16: 3684-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.064
BindingDB Entry DOI: 10.7270/Q2HD7V7J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%