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PubMed code 15982878

Compile data set for download or QSAR
Found 45 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 4


(Homo sapiens (Human))
BDBM50169452
PNG
((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO
Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 7.40E+3n/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 5


(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 40n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay


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


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


(Homo sapiens (Human))
BDBM50169461
PNG
(CHEMBL187712 | Phosphoric acid mono-{(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50169452
PNG
((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO
Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 860n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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))
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 270n/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 1


(Homo sapiens (Human))
BDBM50169454
PNG
(CHEMBL188826 | Thiophosphoric acid (R)-2-amino-2-[...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=S
Show InChI InChI=1S/C19H30N3O3PS/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-25-26(23,24)27/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,27)/t17-/m0/s1
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n/an/an/an/a 6.40n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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 5


(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 26n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay


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


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


(Homo sapiens (Human))
BDBM50169452
PNG
((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO
Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50169460
PNG
(CHEMBL190865 | Phosphoric acid mono-{(R)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50169454
PNG
(CHEMBL188826 | Thiophosphoric acid (R)-2-amino-2-[...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=S
Show InChI InChI=1S/C19H30N3O3PS/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-25-26(23,24)27/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,27)/t17-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50169453
PNG
(CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S
Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)
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n/an/an/an/a 9.80n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/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)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 7.90n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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 790n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50169460
PNG
(CHEMBL190865 | Phosphoric acid mono-{(R)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 1.30n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50169461
PNG
(CHEMBL187712 | Phosphoric acid mono-{(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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))
BDBM50169453
PNG
(CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S
Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)
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n/an/an/an/a 170n/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 3


(Homo sapiens (Human))
BDBM50169453
PNG
(CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S
Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50169456
PNG
(2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO
Show InChI InChI=1S/C20H31N3O2/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)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)
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n/an/an/an/a 6.70E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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 2


(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 8.30n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 2 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 5


(Homo sapiens (Human))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/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)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 17n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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))
BDBM50169460
PNG
(CHEMBL190865 | Phosphoric acid mono-{(R)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m0/s1
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n/an/an/an/a 150n/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 5


(Homo sapiens (Human))
BDBM50169461
PNG
(CHEMBL187712 | Phosphoric acid mono-{(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/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)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 160n/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 1


(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 4.70n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |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 8.70n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50169456
PNG
(2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO
Show InChI InChI=1S/C20H31N3O2/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)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)
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n/an/an/an/a 660n/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 5


(Homo sapiens (Human))
BDBM50169453
PNG
(CHEMBL364950 | Thiophosphoric acid 2-amino-2-[5-(4...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(C)(N)COP(O)(O)=S
Show InChI InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)
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n/an/an/an/a 51n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay


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


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


(Homo sapiens (Human))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/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)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 630n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


(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 150n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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))
BDBM50169461
PNG
(CHEMBL187712 | Phosphoric acid mono-{(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m1/s1
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n/an/an/an/a 400n/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 5


(Homo sapiens (Human))
BDBM50169460
PNG
(CHEMBL190865 | Phosphoric acid mono-{(R)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-26-27(23,24)25/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,25)/t17-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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))
BDBM50169454
PNG
(CHEMBL188826 | Thiophosphoric acid (R)-2-amino-2-[...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=S
Show InChI InChI=1S/C19H30N3O3PS/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-25-26(23,24)27/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,27)/t17-/m0/s1
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n/an/an/an/a 190n/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 5


(Homo sapiens (Human))
BDBM50169454
PNG
(CHEMBL188826 | Thiophosphoric acid (R)-2-amino-2-[...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@@H](N)COP(O)(O)=S
Show InChI InChI=1S/C19H30N3O3PS/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-25-26(23,24)27/h9-13,17H,2-8,14,20H2,1H3,(H,21,22)(H2,23,24,27)/t17-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay


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


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


(Homo sapiens (Human))
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 780n/an/an/an/a



University of Virginia

Curated by ChEMBL


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


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


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


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



University of Virginia

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.05.097
BindingDB Entry DOI: 10.7270/Q2RF5VSG
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 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 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 4.5n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/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)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 18n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 2 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 1


(Homo sapiens (Human))
BDBM50169452
PNG
((S)-2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)[C@H](N)CO
Show InChI InChI=1S/C19H29N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-13-21-19(22-18)17(20)14-23/h9-13,17,23H,2-8,14,20H2,1H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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 5


(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 16n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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 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 9.20n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 5 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))
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 1


(Homo sapiens (Human))
BDBM50169456
PNG
(2-Amino-2-[5-(4-octyl-phenyl)-1H-imidazol-2-yl]-pr...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)CO
Show InChI InChI=1S/C20H31N3O2/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)15-25/h9-13,24-25H,2-8,14-15,21H2,1H3,(H,22,23)
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n/an/an/an/a 5.10E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine-1-phosphate receptor 1 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
* indicates data uncertainty>20%