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PubMed code 20304639

Compile data set for download or QSAR
Found 54 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))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315556
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-chlor...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C24H26ClN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-20-11-12-22(21(25)15-20)32-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 1.03n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/a 1.05n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315557
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-bromo...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(Br)c1 |r|
Show InChI InChI=1S/C24H26BrN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-20-11-12-22(21(25)15-20)32-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315555
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-cyano...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C#N |r|
Show InChI InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-22-11-12-23(21(15-22)16-26)33-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15H,13-14,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 4.14n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 4.87n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315558
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-methy...)
Show SMILES Cc1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H29N2O6P/c1-18-16-22(27-24(28)25(2,26)17-33-34(29,30)31)12-13-23(18)32-15-14-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-13,16H,14-15,17,26H2,1-2H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315560
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-22-12-11-20(15-21(22)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/a 10.3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 13.1n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315551
PNG
((S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)pro...)
Show SMILES COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29N2O8P/c1-26(27,17-36-37(31,32)33)25(30)28-21-12-13-23(22(16-21)24(29)34-2)35-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17,27H2,1-2H3,(H,28,30)(H2,31,32,33)/t26-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/a 43.6n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 87.2n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315553
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-carba...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(N)=O |r|
Show InChI InChI=1S/C25H28N3O7P/c1-25(27,16-35-36(31,32)33)24(30)28-20-11-12-22(21(15-20)23(26)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,27H2,1H3,(H2,26,29)(H,28,30)(H2,31,32,33)/t25-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315556
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-chlor...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C24H26ClN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-20-11-12-22(21(25)15-20)32-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1
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n/an/a 285n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315554
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(meth...)
Show SMILES CNC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H30N3O7P/c1-26(27,17-36-37(32,33)34)25(31)29-21-12-13-23(22(16-21)24(30)28-2)35-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17,27H2,1-2H3,(H,28,30)(H,29,31)(H2,32,33,34)/t26-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315560
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-2-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-22-12-11-20(15-21(22)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315557
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-bromo...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(Br)c1 |r|
Show InChI InChI=1S/C24H26BrN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-20-11-12-22(21(25)15-20)32-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315553
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-carba...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(N)=O |r|
Show InChI InChI=1S/C25H28N3O7P/c1-25(27,16-35-36(31,32)33)24(30)28-20-11-12-22(21(15-20)23(26)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,27H2,1H3,(H2,26,29)(H,28,30)(H2,31,32,33)/t25-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315554
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(meth...)
Show SMILES CNC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H30N3O7P/c1-26(27,17-36-37(32,33)34)25(31)29-21-12-13-23(22(16-21)24(30)28-2)35-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17,27H2,1-2H3,(H,28,30)(H,29,31)(H2,32,33,34)/t26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315555
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-cyano...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C#N |r|
Show InChI InChI=1S/C25H26N3O6P/c1-25(27,17-34-35(30,31)32)24(29)28-22-11-12-23(21(15-22)16-26)33-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15H,13-14,17,27H2,1H3,(H,28,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315558
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-methy...)
Show SMILES Cc1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H29N2O6P/c1-18-16-22(27-24(28)25(2,26)17-33-34(29,30)31)12-13-23(18)32-15-14-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-13,16H,14-15,17,26H2,1-2H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315552
PNG
((S)-5-(2-amino-2-methyl-3-(phosphonooxy)propanamid...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(O)=O |r|
Show InChI InChI=1S/C25H27N2O8P/c1-25(26,16-35-36(31,32)33)24(30)27-20-11-12-22(21(15-20)23(28)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,30)(H,28,29)(H2,31,32,33)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315551
PNG
((S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)pro...)
Show SMILES COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29N2O8P/c1-26(27,17-36-37(31,32)33)25(30)28-21-12-13-23(22(16-21)24(29)34-2)35-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17,27H2,1-2H3,(H,28,30)(H2,31,32,33)/t26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315552
PNG
((S)-5-(2-amino-2-methyl-3-(phosphonooxy)propanamid...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(O)=O |r|
Show InChI InChI=1S/C25H27N2O8P/c1-25(26,16-35-36(31,32)33)24(30)27-20-11-12-22(21(15-20)23(28)29)34-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,26H2,1H3,(H,27,30)(H,28,29)(H2,31,32,33)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/an/an/a 1.62n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/an/an/a 1.44n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315559
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F3N2O6P/c1-24(29,16-36-37(32,33)34)23(31)30-20-11-12-22(21(15-20)25(26,27)28)35-14-13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-12,15H,13-14,16,29H2,1H3,(H,30,31)(H2,32,33,34)/t24-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50315562
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)-3-(trif...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N3O5P/c1-25(30,16-37-38(33,34)35)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)36-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14H,15-16,30H2,1H3,(H,31,32)(H2,33,34,35)/t25-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/an/an/a 54.8n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/an/an/a 0.520n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315561
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)-3-(t...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N3O5P/c1-26(31,17-38-39(34,35)36)25-32-16-23(33-25)21-11-12-24(22(15-21)27(28,29)30)37-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15-16H,13-14,17,31H2,1H3,(H,32,33)(H2,34,35,36)/t26-/m0/s1
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n/an/an/an/a 22.4n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50315550
PNG
((S)-2-amino-3-(4-(3-(biphenyl-4-yl)propanoyl)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(cc1)C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N2O6P/c1-25(26,17-33-34(30,31)32)24(29)27-22-14-12-21(13-15-22)23(28)16-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-15H,9,16-17,26H2,1H3,(H,27,29)(H2,30,31,32)/t25-/m0/s1
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n/an/an/an/a 18.3n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249240
PNG
((S)-2-amino-3-(4-(2-(biphenyl-4-yl)ethoxy)phenylam...)
Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H27N2O6P/c1-24(25,17-32-33(28,29)30)23(27)26-21-11-13-22(14-12-21)31-16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-14H,15-17,25H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249266
PNG
((R)-2-amino-2-(4-(4-(biphenyl-4-ylmethoxy)phenyl)-...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H26N3O5P/c1-25(26,17-33-34(29,30)31)24-27-15-23(28-24)21-11-13-22(14-12-21)32-16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-15H,16-17,26H2,1H3,(H,27,28)(H2,29,30,31)/t25-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP bindin...


Bioorg Med Chem Lett 20: 2520-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.098
BindingDB Entry DOI: 10.7270/Q2XS5VJB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%