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PubMed code 22429468

Compile data set for download or QSAR
Found 60 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))
BDBM50419986
PNG
(CHEMBL2018309)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C23H23N3O5/c1-3-29-18-10-8-14(12-19(18)30-4-2)23-25-22(26-31-23)17-7-5-6-16-15(9-11-20(27)28)13-24-21(16)17/h5-8,10,12-13,24H,3-4,9,11H2,1-2H3,(H,27,28)
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419995
PNG
(CHEMBL2018319)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCCC(O)=O)c[nH]c12
Show InChI InChI=1S/C24H24ClN3O4/c1-14(2)31-20-11-10-15(12-19(20)25)24-27-23(28-32-24)18-8-5-7-17-16(13-26-22(17)18)6-3-4-9-21(29)30/h5,7-8,10-14,26H,3-4,6,9H2,1-2H3,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420001
PNG
(CHEMBL2018326)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C(C)C)c12
Show InChI InChI=1S/C25H26ClN3O4/c1-14(2)29-13-17(9-11-22(30)31)18-6-5-7-19(23(18)29)24-27-25(33-28-24)16-8-10-21(20(26)12-16)32-15(3)4/h5-8,10,12-15H,9,11H2,1-4H3,(H,30,31)
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n/an/an/an/a 19.9n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420003
PNG
(CHEMBL2018330)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1c(F)ccc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H21ClFN3O4/c1-12(2)31-18-8-4-13(10-16(18)24)23-26-22(27-32-23)20-17(25)7-6-15-14(5-9-19(29)30)11-28(3)21(15)20/h4,6-8,10-12H,5,9H2,1-3H3,(H,29,30)
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n/an/an/an/a 25.1n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419980
PNG
(CHEMBL2018176)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-18-8-6-13(10-17(18)23)22-25-21(26-30-22)16-5-3-4-15-14(7-9-19(27)28)11-24-20(15)16/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419989
PNG
(CHEMBL2018313)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClN3O3/c20-13-7-4-11(5-8-13)19-22-18(23-26-19)15-3-1-2-14-12(6-9-16(24)25)10-21-17(14)15/h1-5,7-8,10,21H,6,9H2,(H,24,25)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419991
PNG
(CHEMBL2018315)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)C1CCOCC1
Show InChI InChI=1S/C18H19N3O4/c22-15(23)5-4-12-10-19-16-13(12)2-1-3-14(16)17-20-18(25-21-17)11-6-8-24-9-7-11/h1-3,10-11,19H,4-9H2,(H,22,23)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419998
PNG
(CHEMBL2018322)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCc3nnn[nH]3)c[nH]c12
Show InChI InChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419975
PNG
(CHEMBL2018179)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H19ClN4O4/c1-11(2)29-21-16(22)8-13(10-24-21)20-25-19(26-30-20)15-5-3-4-14-12(6-7-17(27)28)9-23-18(14)15/h3-5,8-11,23H,6-7H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419980
PNG
(CHEMBL2018176)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-18-8-6-13(10-17(18)23)22-25-21(26-30-22)16-5-3-4-15-14(7-9-19(27)28)11-24-20(15)16/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.0126n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419981
PNG
(CHEMBL2018177)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2c(CCC(O)=O)c[nH]c2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-19-7-4-14(9-17(19)23)22-25-21(26-30-22)13-3-6-16-15(5-8-20(27)28)11-24-18(16)10-13/h3-4,6-7,9-12,24H,5,8H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419989
PNG
(CHEMBL2018313)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H14ClN3O3/c20-13-7-4-11(5-8-13)19-22-18(23-26-19)15-3-1-2-14-12(6-9-16(24)25)10-21-17(14)15/h1-5,7-8,10,21H,6,9H2,(H,24,25)
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419993
PNG
(CHEMBL2018317)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H18ClN3O4/c1-11(2)28-17-7-6-12(8-16(17)22)21-24-20(25-29-21)15-5-3-4-14-13(9-18(26)27)10-23-19(14)15/h3-8,10-11,23H,9H2,1-2H3,(H,26,27)
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n/an/an/an/a 39.8n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419998
PNG
(CHEMBL2018322)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCc3nnn[nH]3)c[nH]c12
Show InChI InChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30)
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n/an/an/an/a 0.0794n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420000
PNG
(CHEMBL2018325)
Show SMILES CCCn1cc(CCC(O)=O)c2cccc(-c3noc(n3)-c3ccc(OC(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C25H26ClN3O4/c1-4-12-29-14-17(9-11-22(30)31)18-6-5-7-19(23(18)29)24-27-25(33-28-24)16-8-10-21(20(26)13-16)32-15(2)3/h5-8,10,13-15H,4,9,11-12H2,1-3H3,(H,30,31)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419979
PNG
(CHEMBL2018175)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2ccn(CCC(O)=O)c2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-6-5-16(11-17(19)23)22-24-21(25-30-22)15-4-3-14-7-9-26(18(14)12-15)10-8-20(27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419975
PNG
(CHEMBL2018179)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H19ClN4O4/c1-11(2)29-21-16(22)8-13(10-24-21)20-25-19(26-30-20)15-5-3-4-14-12(6-7-17(27)28)9-23-18(14)15/h3-5,8-11,23H,6-7H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420003
PNG
(CHEMBL2018330)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1c(F)ccc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H21ClFN3O4/c1-12(2)31-18-8-4-13(10-16(18)24)23-26-22(27-32-23)20-17(25)7-6-15-14(5-9-19(29)30)11-28(3)21(15)20/h4,6-8,10-12H,5,9H2,1-3H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419982
PNG
(CHEMBL2018178)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2[nH]c(CCC(O)=O)cc2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-19-7-4-14(11-17(19)23)22-25-21(26-30-22)13-3-6-18-15(9-13)10-16(24-18)5-8-20(27)28/h3-4,6-7,9-12,24H,5,8H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419991
PNG
(CHEMBL2018315)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)C1CCOCC1
Show InChI InChI=1S/C18H19N3O4/c22-15(23)5-4-12-10-19-16-13(12)2-1-3-14(16)17-20-18(25-21-17)11-6-8-24-9-7-11/h1-3,10-11,19H,4-9H2,(H,22,23)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419986
PNG
(CHEMBL2018309)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C23H23N3O5/c1-3-29-18-10-8-14(12-19(18)30-4-2)23-25-22(26-31-23)17-7-5-6-16-15(9-11-20(27)28)13-24-21(16)17/h5-8,10,12-13,24H,3-4,9,11H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420002
PNG
(CHEMBL2018327)
Show SMILES COc1ccc(-c2noc(n2)-c2ccc(OC(C)C)c(Cl)c2)c2n(C)cc(CCC(O)=O)c12
Show InChI InChI=1S/C24H24ClN3O5/c1-13(2)32-18-8-5-14(11-17(18)25)24-26-23(27-33-24)16-7-9-19(31-4)21-15(6-10-20(29)30)12-28(3)22(16)21/h5,7-9,11-13H,6,10H2,1-4H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419988
PNG
(CHEMBL2018311)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H17N3O5/c25-18(26)7-5-13-11-22-19-14(13)2-1-3-15(19)20-23-21(29-24-20)12-4-6-16-17(10-12)28-9-8-27-16/h1-4,6,10-11,22H,5,7-9H2,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419978
PNG
(CHEMBL2018174)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2n(CCC(O)=O)ccc2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-6-4-16(12-17(19)23)22-24-21(25-30-22)15-3-5-18-14(11-15)7-9-26(18)10-8-20(27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419990
PNG
(CHEMBL2018314)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)C1CCCCC1
Show InChI InChI=1S/C19H21N3O3/c23-16(24)10-9-13-11-20-17-14(13)7-4-8-15(17)18-21-19(25-22-18)12-5-2-1-3-6-12/h4,7-8,11-12,20H,1-3,5-6,9-10H2,(H,23,24)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419977
PNG
(CHEMBL2018312)
Show SMILES CC1(C)Oc2ccc(cc2O1)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H19N3O5/c1-22(2)28-16-8-6-12(10-17(16)29-22)21-24-20(25-30-21)15-5-3-4-14-13(7-9-18(26)27)11-23-19(14)15/h3-6,8,10-11,23H,7,9H2,1-2H3,(H,26,27)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419976
PNG
(CHEMBL2018324)
Show SMILES CCn1cc(CCC(O)=O)c2cccc(-c3noc(n3)-c3ccc(OC(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C24H24ClN3O4/c1-4-28-13-16(9-11-21(29)30)17-6-5-7-18(22(17)28)23-26-24(32-27-23)15-8-10-20(19(25)12-15)31-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419979
PNG
(CHEMBL2018175)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2ccn(CCC(O)=O)c2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-6-5-16(11-17(19)23)22-24-21(25-30-22)15-4-3-14-7-9-26(18(14)12-15)10-8-20(27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419990
PNG
(CHEMBL2018314)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)C1CCCCC1
Show InChI InChI=1S/C19H21N3O3/c23-16(24)10-9-13-11-20-17-14(13)7-4-8-15(17)18-21-19(25-22-18)12-5-2-1-3-6-12/h4,7-8,11-12,20H,1-3,5-6,9-10H2,(H,23,24)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419996
PNG
(CHEMBL2018320)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(N)=O)c[nH]c12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(2)29-18-8-6-13(10-17(18)23)22-26-21(27-30-22)16-5-3-4-15-14(7-9-19(24)28)11-25-20(15)16/h3-6,8,10-12,25H,7,9H2,1-2H3,(H2,24,28)
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419999
PNG
(CHEMBL2018323)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-9-7-14(11-18(19)24)23-25-22(26-31-23)17-6-4-5-16-15(8-10-20(28)29)12-27(3)21(16)17/h4-7,9,11-13H,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419983
PNG
(CHEMBL2018306)
Show SMILES CC(C)Oc1ncc(cc1C(F)(F)F)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H19F3N4O4/c1-11(2)32-21-16(22(23,24)25)8-13(10-27-21)20-28-19(29-33-20)15-5-3-4-14-12(6-7-17(30)31)9-26-18(14)15/h3-5,8-11,26H,6-7H2,1-2H3,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419987
PNG
(CHEMBL2018310)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H19N3O5/c1-27-16-8-6-12(10-17(16)28-2)21-23-20(24-29-21)15-5-3-4-14-13(7-9-18(25)26)11-22-19(14)15/h3-6,8,10-11,22H,7,9H2,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419993
PNG
(CHEMBL2018317)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H18ClN3O4/c1-11(2)28-17-7-6-12(8-16(17)22)21-24-20(25-29-21)15-5-3-4-14-13(9-18(26)27)10-23-19(14)15/h3-8,10-11,23H,9H2,1-2H3,(H,26,27)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419994
PNG
(CHEMBL2018318)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCC(O)=O)c[nH]c12
Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-10-9-14(11-18(19)24)23-26-22(27-31-23)17-7-4-6-16-15(12-25-21(16)17)5-3-8-20(28)29/h4,6-7,9-13,25H,3,5,8H2,1-2H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419976
PNG
(CHEMBL2018324)
Show SMILES CCn1cc(CCC(O)=O)c2cccc(-c3noc(n3)-c3ccc(OC(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C24H24ClN3O4/c1-4-28-13-16(9-11-21(29)30)17-6-5-7-18(22(17)28)23-26-24(32-27-23)15-8-10-20(19(25)12-15)31-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419992
PNG
(CHEMBL2018316)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(c[nH]c12)C(O)=O
Show InChI InChI=1S/C20H16ClN3O4/c1-10(2)27-16-7-6-11(8-15(16)21)19-23-18(24-28-19)13-5-3-4-12-14(20(25)26)9-22-17(12)13/h3-10,22H,1-2H3,(H,25,26)
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419996
PNG
(CHEMBL2018320)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(N)=O)c[nH]c12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(2)29-18-8-6-13(10-17(18)23)22-26-21(27-30-22)16-5-3-4-15-14(7-9-19(24)28)11-25-20(15)16/h3-6,8,10-12,25H,7,9H2,1-2H3,(H2,24,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419997
PNG
(CHEMBL2018321)
Show SMILES CNC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420005
PNG
(CHEMBL2018329)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cc(F)cc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H21ClFN3O4/c1-12(2)31-19-6-4-13(8-18(19)24)23-26-22(27-32-23)17-10-15(25)9-16-14(5-7-20(29)30)11-28(3)21(16)17/h4,6,8-12H,5,7H2,1-3H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419977
PNG
(CHEMBL2018312)
Show SMILES CC1(C)Oc2ccc(cc2O1)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H19N3O5/c1-22(2)28-16-8-6-12(10-17(16)29-22)21-24-20(25-30-21)15-5-3-4-14-13(7-9-18(26)27)11-23-19(14)15/h3-6,8,10-11,23H,7,9H2,1-2H3,(H,26,27)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419984
PNG
(CHEMBL2018307)
Show SMILES CC(C)Oc1ncc(cc1C)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H22N4O4/c1-12(2)29-21-13(3)9-15(11-24-21)22-25-20(26-30-22)17-6-4-5-16-14(7-8-18(27)28)10-23-19(16)17/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419985
PNG
(CHEMBL2018308)
Show SMILES COc1cc(cnc1OC(C)C)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H22N4O5/c1-12(2)30-22-17(29-3)9-14(11-24-22)21-25-20(26-31-21)16-6-4-5-15-13(7-8-18(27)28)10-23-19(15)16/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419994
PNG
(CHEMBL2018318)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCC(O)=O)c[nH]c12
Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-10-9-14(11-18(19)24)23-26-22(27-31-23)17-7-4-6-16-15(12-25-21(16)17)5-3-8-20(28)29/h4,6-7,9-13,25H,3,5,8H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419981
PNG
(CHEMBL2018177)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2c(CCC(O)=O)c[nH]c2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-19-7-4-14(9-17(19)23)22-25-21(26-30-22)13-3-6-16-15(5-8-20(27)28)11-24-18(16)10-13/h3-4,6-7,9-12,24H,5,8H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419992
PNG
(CHEMBL2018316)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(c[nH]c12)C(O)=O
Show InChI InChI=1S/C20H16ClN3O4/c1-10(2)27-16-7-6-11(8-15(16)21)19-23-18(24-28-19)13-5-3-4-12-14(20(25)26)9-22-17(12)13/h3-10,22H,1-2H3,(H,25,26)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419999
PNG
(CHEMBL2018323)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-9-7-14(11-18(19)24)23-25-22(26-31-23)17-6-4-5-16-15(8-10-20(28)29)12-27(3)21(16)17/h4-7,9,11-13H,8,10H2,1-3H3,(H,28,29)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420000
PNG
(CHEMBL2018325)
Show SMILES CCCn1cc(CCC(O)=O)c2cccc(-c3noc(n3)-c3ccc(OC(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C25H26ClN3O4/c1-4-12-29-14-17(9-11-22(30)31)18-6-5-7-19(23(18)29)24-27-25(33-28-24)16-8-10-21(20(26)13-16)32-15(2)3/h5-8,10,13-15H,4,9,11-12H2,1-3H3,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420001
PNG
(CHEMBL2018326)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C(C)C)c12
Show InChI InChI=1S/C25H26ClN3O4/c1-14(2)29-13-17(9-11-22(30)31)18-6-5-7-19(23(18)29)24-27-25(33-28-24)16-8-10-21(20(26)12-16)32-15(3)4/h5-8,10,12-15H,9,11H2,1-4H3,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50420004
PNG
(CHEMBL2018328)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc(F)c2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H21ClFN3O4/c1-12(2)31-18-8-4-13(10-16(18)24)23-26-22(27-32-23)15-6-7-17(25)20-14(5-9-19(29)30)11-28(3)21(15)20/h4,6-8,10-12H,5,9H2,1-3H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419978
PNG
(CHEMBL2018174)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2n(CCC(O)=O)ccc2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-6-4-16(12-17(19)23)22-24-21(25-30-22)15-3-5-18-14(11-15)7-9-26(18)10-8-20(27)28/h3-7,9,11-13H,8,10H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419983
PNG
(CHEMBL2018306)
Show SMILES CC(C)Oc1ncc(cc1C(F)(F)F)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H19F3N4O4/c1-11(2)32-21-16(22(23,24)25)8-13(10-27-21)20-28-19(29-33-20)15-5-3-4-14-12(6-7-17(30)31)9-26-18(14)15/h3-5,8-11,26H,6-7H2,1-2H3,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419987
PNG
(CHEMBL2018310)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C21H19N3O5/c1-27-16-8-6-12(10-17(16)28-2)21-23-20(24-29-21)15-5-3-4-14-13(7-9-18(25)26)11-22-19(14)15/h3-6,8,10-11,22H,7,9H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419995
PNG
(CHEMBL2018319)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCCC(O)=O)c[nH]c12
Show InChI InChI=1S/C24H24ClN3O4/c1-14(2)31-20-11-10-15(12-19(20)25)24-27-23(28-32-24)18-8-5-7-17-16(13-26-22(17)18)6-3-4-9-21(29)30/h5,7-8,10-14,26H,3-4,6,9H2,1-2H3,(H,29,30)
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n/an/an/an/a 0.0501n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50420002
PNG
(CHEMBL2018327)
Show SMILES COc1ccc(-c2noc(n2)-c2ccc(OC(C)C)c(Cl)c2)c2n(C)cc(CCC(O)=O)c12
Show InChI InChI=1S/C24H24ClN3O5/c1-13(2)32-18-8-5-14(11-17(18)25)24-26-23(27-33-24)16-7-9-19(31-4)21-15(6-10-20(29)30)12-28(3)22(16)21/h5,7-9,11-13H,6,10H2,1-4H3,(H,29,30)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419982
PNG
(CHEMBL2018178)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2[nH]c(CCC(O)=O)cc2c1
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-19-7-4-14(11-17(19)23)22-25-21(26-30-22)13-3-6-18-15(9-13)10-16(24-18)5-8-20(27)28/h3-4,6-7,9-12,24H,5,8H2,1-2H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419984
PNG
(CHEMBL2018307)
Show SMILES CC(C)Oc1ncc(cc1C)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H22N4O4/c1-12(2)29-21-13(3)9-15(11-24-21)22-25-20(26-30-22)17-6-4-5-16-14(7-8-18(27)28)10-23-19(16)17/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419985
PNG
(CHEMBL2018308)
Show SMILES COc1cc(cnc1OC(C)C)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H22N4O5/c1-12(2)30-22-17(29-3)9-14(11-24-22)21-25-20(26-31-21)16-6-4-5-15-13(7-8-18(27)28)10-23-19(15)16/h4-6,9-12,23H,7-8H2,1-3H3,(H,27,28)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50419988
PNG
(CHEMBL2018311)
Show SMILES OC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H17N3O5/c25-18(26)7-5-13-11-22-19-14(13)2-1-3-15(19)20-23-21(29-24-20)12-4-6-16-17(10-12)28-9-8-27-16/h1-4,6,10-11,22H,5,7-9H2,(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50419997
PNG
(CHEMBL2018321)
Show SMILES CNC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29)
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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%