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PubMed code 22100314

Compile data set for download or QSAR
Found 38 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 3


(Homo sapiens (Human))
BDBM50361876
PNG
(CHEMBL1938922)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-11-15(5-7-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361880
PNG
(CHEMBL1938926)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccn3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-11-16(13-30-14-17(15-30)25(31)32)4-6-19(20)24-29-21-7-5-18(12-22(21)33-24)26(8-9-26)23-3-1-2-10-28-23/h1-7,10-12,17H,8-9,13-15H2,(H,31,32)
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n/an/an/an/a 240n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361886
PNG
(CHEMBL1938932)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCSC3)c(F)c2)C1
Show InChI InChI=1S/C22H20FN3O3S2/c23-17-7-13(9-25-10-15(11-25)22(28)29)1-3-16(17)20-24-18-4-2-14(8-19(18)31-20)21(27)26-5-6-30-12-26/h1-4,7-8,15H,5-6,9-12H2,(H,28,29)
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n/an/an/an/a 7.42E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
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n/an/an/an/a 888n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361876
PNG
(CHEMBL1938922)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-11-15(5-7-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)
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n/an/an/an/a 680n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361882
PNG
(CHEMBL1938928)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)c3ccccn3)c(F)c2)C1
Show InChI InChI=1S/C24H18FN3O3S/c25-18-9-14(11-28-12-16(13-28)24(30)31)4-6-17(18)23-27-19-7-5-15(10-21(19)32-23)22(29)20-3-1-2-8-26-20/h1-10,16H,11-13H2,(H,30,31)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361883
PNG
(CHEMBL1938929)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCCC3)c(F)c2)C1
Show InChI InChI=1S/C24H24FN3O3S/c25-19-10-15(12-27-13-17(14-27)24(30)31)4-6-18(19)22-26-20-7-5-16(11-21(20)32-22)23(29)28-8-2-1-3-9-28/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,30,31)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
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n/an/an/an/a 2n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361877
PNG
(CHEMBL1938923)
Show SMILES CC(c1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C25H22FN3O2S/c1-15(21-4-2-3-9-27-21)17-6-8-23-22(11-17)28-24(32-23)19-7-5-16(10-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361880
PNG
(CHEMBL1938926)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccn3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-11-16(13-30-14-17(15-30)25(31)32)4-6-19(20)24-29-21-7-5-18(12-22(21)33-24)26(8-9-26)23-3-1-2-10-28-23/h1-7,10-12,17H,8-9,13-15H2,(H,31,32)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361882
PNG
(CHEMBL1938928)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)c3ccccn3)c(F)c2)C1
Show InChI InChI=1S/C24H18FN3O3S/c25-18-9-14(11-28-12-16(13-28)24(30)31)4-6-17(18)23-27-19-7-5-15(10-21(19)32-23)22(29)20-3-1-2-8-26-20/h1-10,16H,11-13H2,(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361886
PNG
(CHEMBL1938932)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCSC3)c(F)c2)C1
Show InChI InChI=1S/C22H20FN3O3S2/c23-17-7-13(9-25-10-15(11-25)22(28)29)1-3-16(17)20-24-18-4-2-14(8-19(18)31-20)21(27)26-5-6-30-12-26/h1-4,7-8,15H,5-6,9-12H2,(H,28,29)
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n/an/an/an/a 2.71E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361887
PNG
(CHEMBL1938933)
Show SMILES CC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C23H22FN3O3S2/c1-13-27(6-7-31-13)22(28)15-3-5-19-20(9-15)32-21(25-19)17-4-2-14(8-18(17)24)10-26-11-16(12-26)23(29)30/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,29,30)
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n/an/an/an/a 42n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361888
PNG
(CHEMBL1938934)
Show SMILES CCC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-2-21-28(7-8-32-21)23(29)15-4-6-19-20(10-15)33-22(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)24(30)31/h3-6,9-10,16,21H,2,7-8,11-13H2,1H3,(H,30,31)
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n/an/an/an/a 390n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361883
PNG
(CHEMBL1938929)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCCC3)c(F)c2)C1
Show InChI InChI=1S/C24H24FN3O3S/c25-19-10-15(12-27-13-17(14-27)24(30)31)4-6-18(19)22-26-20-7-5-16(11-21(20)32-22)23(29)28-8-2-1-3-9-28/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361884
PNG
(CHEMBL1938930)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCCCC3)c(F)c2)C1
Show InChI InChI=1S/C25H26FN3O3S/c26-20-11-16(13-28-14-18(15-28)25(31)32)5-7-19(20)23-27-21-8-6-17(12-22(21)33-23)24(30)29-9-3-1-2-4-10-29/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,31,32)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361889
PNG
(CHEMBL1938935)
Show SMILES CC(C)C1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C25H26FN3O3S2/c1-14(2)24-29(7-8-33-24)23(30)16-4-6-20-21(10-16)34-22(27-20)18-5-3-15(9-19(18)26)11-28-12-17(13-28)25(31)32/h3-6,9-10,14,17,24H,7-8,11-13H2,1-2H3,(H,31,32)
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n/an/an/an/a 900n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361877
PNG
(CHEMBL1938923)
Show SMILES CC(c1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C25H22FN3O2S/c1-15(21-4-2-3-9-27-21)17-6-8-23-22(11-17)28-24(32-23)19-7-5-16(10-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 2.37E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361889
PNG
(CHEMBL1938935)
Show SMILES CC(C)C1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C25H26FN3O3S2/c1-14(2)24-29(7-8-33-24)23(30)16-4-6-20-21(10-16)34-22(27-20)18-5-3-15(9-19(18)26)11-28-12-17(13-28)25(31)32/h3-6,9-10,14,17,24H,7-8,11-13H2,1-2H3,(H,31,32)
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n/an/an/an/a 49n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 1.21E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361881
PNG
(CHEMBL1938927)
Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)
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n/an/an/an/a 9.75E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361885
PNG
(CHEMBL1938931)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCC3)c(F)c2)C1
Show InChI InChI=1S/C23H22FN3O3S/c24-18-9-14(11-26-12-16(13-26)23(29)30)3-5-17(18)21-25-19-6-4-15(10-20(19)31-21)22(28)27-7-1-2-8-27/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,29,30)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361888
PNG
(CHEMBL1938934)
Show SMILES CCC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-2-21-28(7-8-32-21)23(29)15-4-6-19-20(10-15)33-22(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)24(30)31/h3-6,9-10,16,21H,2,7-8,11-13H2,1H3,(H,30,31)
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n/an/an/an/a 6.24E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361878
PNG
(CHEMBL1938924)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccn5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-7-5-15(11-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)
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n/an/an/an/a 1.96E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361881
PNG
(CHEMBL1938927)
Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)
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n/an/an/an/a 520n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361878
PNG
(CHEMBL1938924)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccn5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-10-16(12-28-13-17(14-28)24(29)30)4-6-19(20)23-27-21-7-5-15(11-22(21)31-23)9-18-3-1-2-8-26-18/h1-8,10-11,17H,9,12-14H2,(H,29,30)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361879
PNG
(CHEMBL1938925)
Show SMILES CC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C25H22FN3O2S/c1-15(21-4-2-3-9-27-21)17-6-8-22-23(11-17)32-24(28-22)19-7-5-16(10-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361887
PNG
(CHEMBL1938933)
Show SMILES CC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C23H22FN3O3S2/c1-13-27(6-7-31-13)22(28)15-3-5-19-20(9-15)32-21(25-19)17-4-2-14(8-18(17)24)10-26-11-16(12-26)23(29)30/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,29,30)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361890
PNG
(CHEMBL1938936)
Show SMILES CC1(C)SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-24(2)28(7-8-32-24)22(29)15-4-6-19-20(10-15)33-21(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)23(30)31/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,30,31)
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n/an/an/an/a 2.68E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361884
PNG
(CHEMBL1938930)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCCCC3)c(F)c2)C1
Show InChI InChI=1S/C25H26FN3O3S/c26-20-11-16(13-28-14-18(15-28)25(31)32)5-7-19(20)23-27-21-8-6-17(12-22(21)33-23)24(30)29-9-3-1-2-4-10-29/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,31,32)
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n/an/an/an/a 2.72E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361885
PNG
(CHEMBL1938931)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C(=O)N3CCCC3)c(F)c2)C1
Show InChI InChI=1S/C23H22FN3O3S/c24-18-9-14(11-26-12-16(13-26)23(29)30)3-5-17(18)21-25-19-6-4-15(10-20(19)31-21)22(28)27-7-1-2-8-27/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,29,30)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361888
PNG
(CHEMBL1938934)
Show SMILES CCC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-2-21-28(7-8-32-21)23(29)15-4-6-19-20(10-15)33-22(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)24(30)31/h3-6,9-10,16,21H,2,7-8,11-13H2,1H3,(H,30,31)
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n/an/an/an/a 150n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361881
PNG
(CHEMBL1938927)
Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)
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n/an/an/an/a 100n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361888
PNG
(CHEMBL1938934)
Show SMILES CCC1SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-2-21-28(7-8-32-21)23(29)15-4-6-19-20(10-15)33-22(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)24(30)31/h3-6,9-10,16,21H,2,7-8,11-13H2,1H3,(H,30,31)
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n/an/an/an/a 17n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361890
PNG
(CHEMBL1938936)
Show SMILES CC1(C)SCCN1C(=O)c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C24H24FN3O3S2/c1-24(2)28(7-8-32-24)22(29)15-4-6-19-20(10-15)33-21(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)23(30)31/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,30,31)
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n/an/an/an/a 430n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361879
PNG
(CHEMBL1938925)
Show SMILES CC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C25H22FN3O2S/c1-15(21-4-2-3-9-27-21)17-6-8-22-23(11-17)32-24(28-22)19-7-5-16(10-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)
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n/an/an/an/a 570n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 41n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analy...


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361881
PNG
(CHEMBL1938927)
Show SMILES CCC(c1ccc2nc(sc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F)c1ccccn1
Show InChI InChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.06E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay


Bioorg Med Chem Lett 22: 628-33 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.069
BindingDB Entry DOI: 10.7270/Q2T72HW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%