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Compile Data Set for Download or QSAR

Found 342 hits of ec50 for UniProtKB: O95977   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine 1-phosphate receptor 4


(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 0.0900n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)

Bioorg Med Chem Lett 23: 6377-89 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.058
BindingDB Entry DOI: 10.7270/Q2FR00KV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50532533
PNG
(CHEMBL4458575)
Show SMILES O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C27H25F3N4O5/c28-27(29,30)22-23(18-6-2-1-3-7-18)32-38-24(22)26-31-25(33-39-26)19-10-8-17(9-11-19)20(35)15-34-12-4-5-16(14-34)13-21(36)37/h1-3,6-11,16,20,35H,4-5,12-15H2,(H,36,37)/t16-,20-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay

J Med Chem 59: 6248-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00373
BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50532533
PNG
(CHEMBL4458575)
Show SMILES O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C27H25F3N4O5/c28-27(29,30)22-23(18-6-2-1-3-7-18)32-38-24(22)26-31-25(33-39-26)19-10-8-17(9-11-19)20(35)15-34-12-4-5-16(14-34)13-21(36)37/h1-3,6-11,16,20,35H,4-5,12-15H2,(H,36,37)/t16-,20-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay

J Med Chem 59: 6248-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00373
BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 0.600n/an/a7.4n/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonism of human S1P-4 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 4


(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 |r|
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 0.700n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50532552
PNG
(CHEMBL4448752)
Show SMILES O[C@H](CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-21(16-5-2-1-3-6-16)31-37-22(20)24-30-23(32-38-24)17-10-8-15(9-11-17)19(34)14-33-12-4-7-18(13-33)25(35)36/h1-3,5-6,8-11,18-19,34H,4,7,12-14H2,(H,35,36)/t18-,19+/m0/s1
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n/an/an/an/a 0.920n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay

J Med Chem 59: 6248-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00373
BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50532552
PNG
(CHEMBL4448752)
Show SMILES O[C@H](CN1CCC[C@@H](C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-21(16-5-2-1-3-6-16)31-37-22(20)24-30-23(32-38-24)17-10-8-15(9-11-17)19(34)14-33-12-4-7-18(13-33)25(35)36/h1-3,5-6,8-11,18-19,34H,4,7,12-14H2,(H,35,36)/t18-,19+/m0/s1
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n/an/an/an/a 0.920n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay

J Med Chem 59: 6248-64 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00373
BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50475577
PNG
(CHEMBL382739)
Show SMILES CCCCCCCOc1ccc(CC[C@@](C)(N)COP(O)(O)=O)cc1 |r|
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-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay

Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50475576
PNG
(CHEMBL199791)
Show SMILES CCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H32NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)14(16)13-21-22(18,19)20/h11-12,14-15,17H,2-10,13,16H2,1H3,(H2,18,19,20)/b12-11+/t14-,15+/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay

Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 1.60n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01109
BindingDB Entry DOI: 10.7270/Q28919KX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 1.60n/an/an/an/a


TBA

Assay Description
Agonist activity at human recombinant S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01695
BindingDB Entry DOI: 10.7270/Q2TQ659P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 2.40n/an/a7.4n/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonism of human S1P-4 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 4


(Homo sapiens (Human))		BDBM258470
PNG
(US9522888, 697)
Show SMILES COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C25H34NO5P/c1-30-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-31-32(27,28)29/h2-5,10-11,15,18,23H,6-9,12-14,16-17,26H2,1H3,(H2,27,28,29)/t18-,23+,25-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a


TBA

Assay Description
Agonist activity at human recombinant S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01695
BindingDB Entry DOI: 10.7270/Q2TQ659P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50495090
PNG
(CHEMBL3102903)
Show SMILES CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1cnc(s1)[C@@](C)(N)COP(O)(O)=O |r|
Show InChI InChI=1S/C21H30F3N2O5PS/c1-3-4-5-6-7-8-11-30-17-10-9-15(12-16(17)21(22,23)24)18-13-26-19(33-18)20(2,25)14-31-32(27,28)29/h9-10,12-13H,3-8,11,14,25H2,1-2H3,(H2,27,28,29)/t20-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting

ACS Med Chem Lett 4: 942-7 (2013)


Article DOI: 10.1021/ml400194r
BindingDB Entry DOI: 10.7270/Q2RR2269
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50495089
PNG
(CHEMBL3102904)
Show SMILES CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1nnc(s1)[C@@](C)(N)COP(O)(O)=O |r|
Show InChI InChI=1S/C20H29F3N3O5PS/c1-3-4-5-6-7-8-11-30-16-10-9-14(12-15(16)20(21,22)23)17-25-26-18(33-17)19(2,24)13-31-32(27,28)29/h9-10,12H,3-8,11,13,24H2,1-2H3,(H2,27,28,29)/t19-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting

ACS Med Chem Lett 4: 942-7 (2013)


Article DOI: 10.1021/ml400194r
BindingDB Entry DOI: 10.7270/Q2RR2269
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 5.39n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(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 |r|
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 5.39n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM258466
PNG
(US9522888, 689)
Show SMILES COCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C22H36NO5P/c1-27-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-28-29(24,25)26/h8-9,14,17,21H,2-7,10-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a 5.60n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01109
BindingDB Entry DOI: 10.7270/Q28919KX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 5.70n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50197420
PNG
((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1C[C@H](COP(O)([O-])=O)[NH2+][C@@H]1CO |w:19.21|
Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P4 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 4


(Homo sapiens (Human))		BDBM50197420
PNG
((2S,3R,5R)-5-[(hydrogen phosphonatooxy)methyl]-2-(...)
Show SMILES CCCCCCCCc1ccc(cc1)[C@H]1C[C@H](COP(O)([O-])=O)[NH2+][C@@H]1CO |w:19.21|
Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses...

Bioorg Med Chem Lett 21: 6739-45 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 7.90n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P4 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 4


(Homo sapiens (Human))		BDBM50356270
PNG
(CHEMBL1910654)
Show SMILES N[C@H](CNC(=O)c1cc2c(cccc2[nH]1)-c1ccccc1Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H23N3O3/c26-21(25(30)31)15-27-24(29)23-14-20-19(11-6-12-22(20)28-23)18-10-5-4-9-17(18)13-16-7-2-1-3-8-16/h1-12,14,21,28H,13,15,26H2,(H,27,29)(H,30,31)/t21-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses...

Bioorg Med Chem Lett 21: 6739-45 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50562873
PNG
(CHEMBL4786296)
Show SMILES CCOCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
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n/an/an/an/a 10n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01109
BindingDB Entry DOI: 10.7270/Q28919KX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01109
BindingDB Entry DOI: 10.7270/Q28919KX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
Agonist activity at human recombinant S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01695
BindingDB Entry DOI: 10.7270/Q2TQ659P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 13n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting

ACS Med Chem Lett 4: 942-7 (2013)


Article DOI: 10.1021/ml400194r
BindingDB Entry DOI: 10.7270/Q2RR2269
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 16.0n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50197424
PNG
((2R,3S,5S)-5-[(hydrogen phosphonatooxy)methyl]-2-(...)
Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](COP(O)([O-])=O)[NH2+][C@H]1CO |w:19.21|
Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(21-20(19)14-22)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1
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n/an/an/an/a 16.8n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P4 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 4


(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 |r|
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 18.6n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P4 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 4


(Homo sapiens (Human))		BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50475578
PNG
(CHEMBL203475)
Show SMILES C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+]([O-])=O)c3nonc23)cc1)COP(O)(O)=O
Show InChI InChI=1S/C25H36N5O8P/c1-25(26,18-37-39(33,34)35)15-14-19-8-10-20(11-9-19)36-17-7-5-3-2-4-6-16-27-21-12-13-22(30(31)32)24-23(21)28-38-29-24/h8-13,27H,2-7,14-18,26H2,1H3,(H2,33,34,35)/t25-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay

Bioorg Med Chem Lett 16: 84-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.038
BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 22n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human S1P4 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00631
BindingDB Entry DOI: 10.7270/Q2D79G4R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 22.2n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 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 4


(Homo sapiens (Human))		BDBM50063864
PNG
(CHEMBL3403619 | US10676467, Compound TZ 50 13)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 26n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay

Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50197422
PNG
((2R,3S,5S)-2-[(hydrogen phosphonatooxy)methyl]-5-(...)
Show SMILES CCCCCCCCc1ccc(cc1)[C@@H]1C[C@@H](CO)[NH2+][C@H]1COP(O)([O-])=O |w:23.26|
Show InChI InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(14-22)21-20(19)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m0/s1
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n/an/an/an/a 33.1n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P4 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 4


(Homo sapiens (Human))		BDBM50152537
PNG
(CHEMBL361915 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 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 4


(Homo sapiens (Human))		BDBM50356269
PNG
(CHEMBL1910653)
Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein asses...

Bioorg Med Chem Lett 21: 6739-45 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.049
BindingDB Entry DOI: 10.7270/Q2736RBP
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 |r|
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 37n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 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 4


(Homo sapiens (Human))		BDBM50209042
PNG
(CHEMBL3883972)
Show SMILES OC(=O)CCNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO2S/c24-22(25)9-10-23-14-20-13-19-12-18(7-8-21(19)26-20)17-6-5-15-3-1-2-4-16(15)11-17/h1-8,11-13,23H,9-10,14H2,(H,24,25)
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n/an/an/an/a 38n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount sc...

Bioorg Med Chem Lett 27: 1-5 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.050
BindingDB Entry DOI: 10.7270/Q241702R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(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 41n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 4 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 4


(Homo sapiens (Human))		BDBM75606
PNG
(2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluo...)
Show SMILES FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
Show InChI InChI=1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2
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n/an/an/an/a 45n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in human U2OS cells containing EDG6 gene co-expressing GAL4-VP16 and beta-arrestin/TEV protease assessed as...

Bioorg Med Chem Lett 22: 537-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.096
BindingDB Entry DOI: 10.7270/Q2WD410R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM75606
PNG
(2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluo...)
Show SMILES FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
Show InChI InChI=1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2
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n/an/an/an/a 45.5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a 46n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R expressed in human U2OS cells containing EDG6 gene co-expressing GAL4-VP16 and beta-arrestin/TEV protease assessed as...

Bioorg Med Chem Lett 22: 537-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.096
BindingDB Entry DOI: 10.7270/Q2WD410R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM75602
PNG
(2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyrid...)
Show SMILES Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
Show InChI InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2
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n/an/an/an/a 46.3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM50152538
PNG
(CHEMBL185491 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc2nc([nH]c2c1)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 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 4


(Homo sapiens (Human))		BDBM75604
PNG
(2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methyl...)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
Show InChI InChI=1S/C14H12BrCl2NO2/c1-9-2-4-13(14(15)18-9)20-7-6-19-12-5-3-10(16)8-11(12)17/h2-5,8H,6-7H2,1H3
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n/an/an/an/a 52n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2610XS9
More data for this
Ligand-Target Pair
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