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PubMed code 24909680

Compile data set for download or QSAR
Found 18 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))
BDBM50045332
PNG
(CHEMBL3311354)
Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a 6.5n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045328
PNG
(CHEMBL3311350)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r|
Show InChI InChI=1/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/s2
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n/an/an/an/a 60n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045329
PNG
(CHEMBL3311351)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(Cl)c2)cc1 |r|
Show InChI InChI=1/C22H29ClNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/s2
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n/an/an/an/a 220n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045325
PNG
(CHEMBL3311106)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r|
Show InChI InChI=1/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/s2
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n/an/an/an/a 7n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045331
PNG
(CHEMBL3311353)
Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)21-12-18(2)22(19(3)13-21)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a 2.20n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045330
PNG
(CHEMBL3311352)
Show SMILES CCc1cc(ccc1COC[C@@](C)(N)COP(O)(O)=O)C(=O)CCCc1ccc(C)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-4-20-14-21(23(26)7-5-6-19-10-8-18(2)9-11-19)12-13-22(20)15-30-16-24(3,25)17-31-32(27,28)29/h8-14H,4-7,15-17,25H2,1-3H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a 1.20E+4n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045326
PNG
(CHEMBL3311348)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r|
Show InChI InChI=1/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)20-11-12-21(18(2)13-20)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/s2
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n/an/an/an/a 3n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045327
PNG
(CHEMBL3311349)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r|
Show InChI InChI=1/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)21-12-11-20(13-18(21)2)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/s2
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n/an/an/an/a 19n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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 |r|
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045326
PNG
(CHEMBL3311348)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r|
Show InChI InChI=1/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)20-11-12-21(18(2)13-20)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/s2
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n/an/an/an/a 180n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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 |r|
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045332
PNG
(CHEMBL3311354)
Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045330
PNG
(CHEMBL3311352)
Show SMILES CCc1cc(ccc1COC[C@@](C)(N)COP(O)(O)=O)C(=O)CCCc1ccc(C)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-4-20-14-21(23(26)7-5-6-19-10-8-18(2)9-11-19)12-13-22(20)15-30-16-24(3,25)17-31-32(27,28)29/h8-14H,4-7,15-17,25H2,1-3H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a 2.30n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045327
PNG
(CHEMBL3311349)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r|
Show InChI InChI=1/C23H32NO6P/c1-17-7-9-19(10-8-17)5-4-6-22(25)21-12-11-20(13-18(21)2)14-29-15-23(3,24)16-30-31(26,27)28/h7-13H,4-6,14-16,24H2,1-3H3,(H2,26,27,28)/t23-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045331
PNG
(CHEMBL3311353)
Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)c(C)c2)cc1 |r|
Show InChI InChI=1/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)21-12-18(2)22(19(3)13-21)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/s2
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n/an/an/an/a 340n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045328
PNG
(CHEMBL3311350)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(F)c2)cc1 |r|
Show InChI InChI=1/C22H29FNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/s2
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n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50045329
PNG
(CHEMBL3311351)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)c(Cl)c2)cc1 |r|
Show InChI InChI=1/C22H29ClNO6P/c1-16-6-8-17(9-7-16)4-3-5-21(25)18-10-11-19(20(23)12-18)13-29-14-22(2,24)15-30-31(26,27)28/h6-12H,3-5,13-15,24H2,1-2H3,(H2,26,27,28)/t22-/s2
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n/an/an/an/a 4n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50045325
PNG
(CHEMBL3311106)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r|
Show InChI InChI=1/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/s2
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n/an/an/an/a 200n/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4246-56 (2014)


Article DOI: 10.1016/j.bmc.2014.05.035
BindingDB Entry DOI: 10.7270/Q2PN9788
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%