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PubMed code 17070046

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
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 0.550n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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
3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 1


(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>1.00E+3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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 5


(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 0.910n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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))
BDBM50197421
PNG
((2S,3R,5R)-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-/m1/s1
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n/an/an/an/a 347n/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 3


(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>1.00E+3n/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))
BDBM50197421
PNG
((2S,3R,5R)-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-/m1/s1
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n/an/an/an/a>1.00E+3n/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 5


(Homo sapiens (Human))
BDBM50197421
PNG
((2S,3R,5R)-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-/m1/s1
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n/an/an/an/a 134n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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))
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 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
3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 1


(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 0.680n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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 1


(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>1.00E+3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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 5


(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 21.3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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))
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))
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 5


(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 5.80n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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))
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>1.00E+3n/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 5


(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 10.2n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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 1


(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>1.00E+3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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 |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 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 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 3


(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>1.00E+3n/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 1


(Homo sapiens (Human))
BDBM50197421
PNG
((2S,3R,5R)-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-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P1 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 5


(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 2.90n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Activity at human recombinant S1P5 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



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
* indicates data uncertainty>20%