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Compile Data Set for Download or QSAR

Found 2202 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3'   
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))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 0.100n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 0.134n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50314403
PNG
((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1
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n/an/an/an/a 0.150n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P3 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50314401
PNG
(2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1
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n/an/an/an/a 0.215n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50314402
PNG
((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1
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n/an/an/an/a 0.286n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 0.449n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experimen...


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...


Bioorg Med Chem Lett 14: 4903-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.030
BindingDB Entry DOI: 10.7270/Q26T0NCJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50249263
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propoxy)phenyla...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H29N2O6P/c1-25(26,18-33-34(29,30)31)24(28)27-22-13-15-23(16-14-22)32-17-5-6-19-9-11-21(12-10-19)20-7-3-2-4-8-20/h2-4,7-16H,5-6,17-18,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/an/an/a 1.38n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50165403
PNG
(CHEMBL3799355)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CN(C)CC(C)C)cc(c1)C(C)C
Show InChI InChI=1S/C31H44N4O5/c1-8-23-12-25(9-21(6)29(23)39-18-27(37)14-32-28(38)17-36)30-33-31(40-34-30)26-11-22(10-24(13-26)20(4)5)16-35(7)15-19(2)3/h9-13,19-20,27,36-37H,8,14-18H2,1-7H3,(H,32,38)/t27-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 1.40n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand


J Med Chem 48: 5373-7 (2005)


Article DOI: 10.1021/jm050242f
BindingDB Entry DOI: 10.7270/Q218361R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P3 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay


Bioorg Med Chem Lett 17: 491-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.014
BindingDB Entry DOI: 10.7270/Q2028SCS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P3 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay


Bioorg Med Chem Lett 17: 491-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.014
BindingDB Entry DOI: 10.7270/Q2028SCS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 2n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay


Bioorg Med Chem Lett 15: 3568-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline)

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 23: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.053
BindingDB Entry DOI: 10.7270/Q2X63P82
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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n/an/an/an/a 2.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP3 receptor


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 3.10n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]-GTP-gammaS as radioligand


J Med Chem 48: 5373-7 (2005)


Article DOI: 10.1021/jm050242f
BindingDB Entry DOI: 10.7270/Q218361R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding


Eur J Med Chem 51: 92-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.022
BindingDB Entry DOI: 10.7270/Q2CN74CT
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO-K1 cells by [35S]GTPgammaS binding assay


ACS Med Chem Lett 2: 368-372 (2011)


Article DOI: 10.1021/ml100301k
BindingDB Entry DOI: 10.7270/Q24T6JTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50165404
PNG
(CHEMBL3800604)
Show SMILES CCCc1cc(CN(C)CC(C)C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C31H44N4O5/c1-7-9-22-11-23(17-35(6)16-20(3)4)13-26(12-22)31-33-30(34-40-31)25-10-21(5)29(24(8-2)14-25)39-19-27(37)15-32-28(38)18-36/h10-14,20,27,36-37H,7-9,15-19H2,1-6H3,(H,32,38)/t27-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 3.60n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by GTPgammaS binding assay


ACS Med Chem Lett 7: 283-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00448
BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315813
PNG
(2-Amino-4-(4'-benzyloxy-2'-fluorobiphenyl-4-yl)-2-...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(OCc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C24H27FNO6P/c25-23-14-21(31-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-32-33(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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n/an/an/an/a 4.10n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315816
PNG
(2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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n/an/an/an/a 4.90n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in RBL cells by [35S]GTP-gammaS accumulation assay


J Med Chem 59: 1003-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 5.01n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in RBL cells assessed as [35S]GTPgammaS binding after 3 hrs by radiometric assay


J Med Chem 54: 6724-33 (2011)


Article DOI: 10.1021/jm200609t
BindingDB Entry DOI: 10.7270/Q27P8ZSM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/an/an/a 5.40n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50165405
PNG
(CHEMBL3799888)
Show SMILES CCc1cc(CN(C)CC(C)C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C30H42N4O5/c1-7-21-10-22(16-34(6)15-19(3)4)12-25(11-21)30-32-29(33-39-30)24-9-20(5)28(23(8-2)13-24)38-18-26(36)14-31-27(37)17-35/h9-13,19,26,35-36H,7-8,14-18H2,1-6H3,(H,31,37)/t26-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 8.70n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay


Bioorg Med Chem Lett 15: 3568-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 8.70n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experimen...


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50277185
PNG
((S)-2-amino-3-(2-fluoro-4-(octyloxy)phenylamino)-2...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)c(F)c1
Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-14-9-10-16(15(19)12-14)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
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n/an/an/an/a 9.80n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50277149
PNG
((S)-2-amino-3-(3-fluoro-4-(octyloxy)phenylamino)-2...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1F
Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-16-10-9-14(12-15(16)19)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
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n/an/an/an/a 10.1n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50277187
PNG
((R)-2-amino-2-(4-(3-fluoro-4-(octyloxy)phenyl)-1H-...)
Show SMILES CCCCCCCCOc1ccc(cc1F)-c1c[nH]c(n1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C20H31FN3O5P/c1-3-4-5-6-7-8-11-28-18-10-9-15(12-16(18)21)17-13-23-19(24-17)20(2,22)14-29-30(25,26)27/h9-10,12-13H,3-8,11,14,22H2,1-2H3,(H,23,24)(H2,25,26,27)/t20-/m0/s1
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n/an/an/an/a 10.8n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 12n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315812
PNG
(2-Amino-4-(4'-benzyloxy-3-chlorobiphenyl-4-yl)-2-(...)
Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(OCc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C24H27ClNO6P/c25-23-14-21(7-6-20(23)12-13-24(26,16-27)17-32-33(28,29)30)19-8-10-22(11-9-19)31-15-18-4-2-1-3-5-18/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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n/an/an/an/a 13n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50277186
PNG
((R)-2-amino-2-(4-(4-(octyloxy)phenyl)-1H-imidazol-...)
Show SMILES CCCCCCCCOc1ccc(cc1)-c1c[nH]c(n1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/c1-3-4-5-6-7-8-13-27-17-11-9-16(10-12-17)18-14-22-19(23-18)20(2,21)15-28-29(24,25)26/h9-12,14H,3-8,13,15,21H2,1-2H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1
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n/an/an/an/a 14.8n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1
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n/an/an/an/a 16.1n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50277148
PNG
((S)-2-amino-2-methyl-3-(4-(octyloxy)phenylamino)-3...)
Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O6P/c1-3-4-5-6-7-8-13-25-16-11-9-15(10-12-16)20-17(21)18(2,19)14-26-27(22,23)24/h9-12H,3-8,13-14,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t18-/m0/s1
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n/an/an/an/a 16.3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 369-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.072
BindingDB Entry DOI: 10.7270/Q2H70FNK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50164830
PNG
(CHEMBL3799227)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(OC)c(c1)C1CCCC1
Show InChI InChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.020
BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316751
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-cyclohe...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1
Show InChI InChI=1S/C19H23ClN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h8-12,14,23H,3-7H2,1-2H3/b17-11-,21-19-
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n/an/an/an/a 18n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50314401
PNG
(2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1
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n/an/an/an/a 18.8n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50165463
PNG
(CHEMBL3799441)
Show SMILES CCCN(C)Cc1sc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
Show InChI InChI=1S/C27H38N4O5S/c1-6-9-31(5)14-23-18(7-2)12-22(37-23)27-29-26(30-36-27)20-10-17(4)25(19(8-3)11-20)35-16-21(33)13-28-24(34)15-32/h10-12,21,32-33H,6-9,13-16H2,1-5H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50164823
PNG
(CHEMBL3800133)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCC1
Show InChI InChI=1S/C26H32N4O6/c1-4-16-9-18(8-15(2)24(16)35-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-21(17-6-5-7-17)28-23(11-19)34-3/h8-11,17,20,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.020
BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
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n/an/an/an/a 23n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50314401
PNG
(2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1
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n/an/an/an/a 25.7n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
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