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Compile Data Set for Download or QSAR

Found 330 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 Co.

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


(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)


BindingDB Entry DOI: 10.7270/Q2FR00KV
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
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
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


(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)


BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50475577
PNG
(CHEMBL382739)
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-/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)


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 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


(Homo sapiens (Human))
BDBM50495090
PNG
(CHEMBL3102903)
Show SMILES CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1cnc(s1)[C@@](C)(N)COP(O)(O)=O
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)


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


(Homo sapiens (Human))
BDBM50495089
PNG
(CHEMBL3102904)
Show SMILES CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1nnc(s1)[C@@](C)(N)COP(O)(O)=O
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)


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
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



Biogen Idec 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))
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 5.70n/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
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))
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
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))
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 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
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))
BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
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 Co.

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


(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 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)


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
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



Biogen Idec 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
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
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
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


(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)


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
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



Biogen Idec 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)
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
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
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
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


(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))
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 41.5n/an/an/an/a



Biogen Idec 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))
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
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

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))
BDBM50360540
PNG
(CHEMBL1933151)
Show SMILES Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(I)n1
Show InChI InChI=1S/C14H12Cl2INO2/c1-9-2-4-13(14(17)18-9)20-7-6-19-12-5-3-10(15)8-11(12)16/h2-5,8H,6-7H2,1H3
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n/an/an/an/a 54n/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))
BDBM50356267
PNG
(CHEMBL1910803)
Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C
Show InChI InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20-
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n/an/an/an/a 56n/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))
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a 58n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor


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


(Homo sapiens (Human))
BDBM50475575
PNG
(CHEMBL199754)
Show SMILES N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12
Show InChI InChI=1S/C21H34N5O8P/c22-16(15-33-35(30,31)32)19(27)11-9-7-5-3-1-2-4-6-8-10-14-23-17-12-13-18(26(28)29)21-20(17)24-34-25-21/h9,11-13,16,19,23,27H,1-8,10,14-15,22H2,(H2,30,31,32)/b11-9+/t16-,19+/m0/s1
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n/an/an/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q29C715H
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50356266
PNG
(CHEMBL1910802)
Show SMILES COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
Show InChI InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)14-17-8-6-5-7-9-17)13-19-20(25)23(3)21(27-19)22-10-11-26-4/h5-9,12-13H,10-11,14H2,1-4H3/b19-13-,22-21-
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n/an/an/an/a 68n/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))
BDBM50356257
PNG
(CHEMBL1910688)
Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C
Show InChI InChI=1S/C19H20FN3OS/c1-12-9-15(10-17-18(24)22(4)19(21-3)25-17)13(2)23(12)11-14-7-5-6-8-16(14)20/h5-10H,11H2,1-4H3/b17-10-,21-19-
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n/an/an/an/a 72n/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))
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 80n/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))
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Arena Pharmaceuticals Inc

Curated by ChEMBL


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


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM75603
PNG
((5Z)-5-[[1-(2,6-difluorobenzyl)-2,5-dimethyl-pyrro...)
Show SMILES CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
Show InChI InChI=1S/C19H19F2N3O2S/c1-11-8-13(9-17-18(25)24(26-4)19(22-3)27-17)12(2)23(11)10-14-15(20)6-5-7-16(14)21/h5-9H,10H2,1-4H3/b17-9-,22-19-
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n/an/an/an/a 88.6n/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))
BDBM50169459
PNG
(CHEMBL541890 | Thiophosphoric acid O-{2-amino-3-hy...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=S
Show InChI InChI=1S/C20H32N3O4PS/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-27-28(25,26)29/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,29)
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n/an/an/an/a 89n/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))
BDBM50169458
PNG
(CHEMBL188881 | Phosphoric acid mono-{2-amino-2-[5-...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O4P/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-27-28(24,25)26/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,26)
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n/an/an/an/a 91n/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
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