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Compile Data Set for Download or QSAR

Found 12 hits of ph data with Target = 'Sphingosine 1-Phosphate Receptor 5'   
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 5


(Homo sapiens (human))
BDBM22222
PNG
(3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21F3N2O4/c1-12(2)30-18-8-6-15(11-17(18)22(23,24)25)21-26-20(27-31-21)16-7-4-14(10-13(16)3)5-9-19(28)29/h4,6-8,10-12H,5,9H2,1-3H3,(H,28,29)
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PubMed
n/an/an/an/a 40n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22223
PNG
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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PubMed
n/an/an/an/a 6.5n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22224
PNG
(2-methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(t...)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C
Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)21-27-20(28-32-21)17-7-5-15(9-13(17)3)10-14(4)22(29)30/h5-9,11-12,14H,10H2,1-4H3,(H,29,30)
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n/an/an/an/a 9.90n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22225
PNG
(3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluorom...)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)C(C)CC(O)=O
Show InChI InChI=1S/C23H23F3N2O4/c1-12(2)31-19-8-6-16(11-18(19)23(24,25)26)22-27-21(28-32-22)17-7-5-15(9-14(17)4)13(3)10-20(29)30/h5-9,11-13H,10H2,1-4H3,(H,29,30)
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n/an/an/an/a 3.90n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22226
PNG
(3-(5-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)nc1C
Show InChI InChI=1S/C21H20N4O4/c1-12(2)28-18-8-4-14(10-15(18)11-22)21-24-20(25-29-21)17-7-5-16(23-13(17)3)6-9-19(26)27/h4-5,7-8,10,12H,6,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 28.6n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22227
PNG
((1S,2S)-2-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(tr...)
Show SMILES CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C23H21F3N2O4/c1-11(2)31-19-7-5-14(9-18(19)23(24,25)26)21-27-20(28-32-21)15-6-4-13(8-12(15)3)16-10-17(16)22(29)30/h4-9,11,16-17H,10H2,1-3H3,(H,29,30)/t16-,17+/m1/s1
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n/an/an/an/a 5.10n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22229
PNG
((1S,2R)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1
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n/an/an/an/a 37.7n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22228
PNG
((1S,2S)-2-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C23H21N3O4/c1-12(2)29-20-7-5-15(9-16(20)11-24)22-25-21(26-30-22)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)/t18-,19+/m1/s1
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n/an/an/an/a 13.6n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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0.920 -47.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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2.20 -45.9n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
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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4.20 -44.4n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
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
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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121 -36.7n/an/an/an/an/a7.54



Mitsubishi Pharma Corporation



Assay Description
Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated ...


Bioorg Med Chem 13: 425-32 (2005)


Article DOI: 10.1016/j.bmc.2004.10.008
BindingDB Entry DOI: 10.7270/Q257199Q
More data for this
Ligand-Target Pair