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PubMed code 22153936

Compile data set for download or QSAR
Found 26 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))
BDBM50361041
PNG
(CHEMBL1935580)
Show SMILES CC(COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccccc1 |t:9|
Show InChI InChI=1S/C26H31NO3/c1-18(12-20-6-4-3-5-7-20)17-30-24-10-11-25-19(2)22(9-8-21(25)13-24)14-27-15-23(16-27)26(28)29/h3-7,10-11,13,18,23H,8-9,12,14-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.660n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361040
PNG
(CHEMBL1935579)
Show SMILES CC(CCOc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)c1ccccc1 |t:10|
Show InChI InChI=1S/C26H31NO3/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.600n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361045
PNG
(CHEMBL1935584)
Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9|
Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1
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n/an/an/an/a 9.45E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361036
PNG
(CHEMBL1935575)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)
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n/an/an/an/a 3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361037
PNG
(CHEMBL1935576)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccc(F)cc3)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)7-6-19-13-23(10-11-24(17)19)30-12-2-3-18-4-8-22(26)9-5-18/h4-5,8-11,13,21H,2-3,6-7,12,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361038
PNG
(CHEMBL1935577)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3cccc(F)c3)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)8-7-19-13-23(9-10-24(17)19)30-11-3-5-18-4-2-6-22(26)12-18/h2,4,6,9-10,12-13,21H,3,5,7-8,11,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361042
PNG
(CHEMBL1935581)
Show SMILES CC(CCc1ccccc1)Oc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:17|
Show InChI InChI=1S/C26H31NO3/c1-18(8-9-20-6-4-3-5-7-20)30-24-12-13-25-19(2)22(11-10-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,12-14,18,23H,8-11,15-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.40E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361042
PNG
(CHEMBL1935581)
Show SMILES CC(CCc1ccccc1)Oc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:17|
Show InChI InChI=1S/C26H31NO3/c1-18(8-9-20-6-4-3-5-7-20)30-24-12-13-25-19(2)22(11-10-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,12-14,18,23H,8-11,15-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 20n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361039
PNG
(CHEMBL1935578)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3F)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)9-8-19-13-22(10-11-23(17)19)30-12-4-6-18-5-2-3-7-24(18)26/h2-3,5,7,10-11,13,21H,4,6,8-9,12,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361041
PNG
(CHEMBL1935580)
Show SMILES CC(COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccccc1 |t:9|
Show InChI InChI=1S/C26H31NO3/c1-18(12-20-6-4-3-5-7-20)17-30-24-10-11-25-19(2)22(9-8-21(25)13-24)14-27-15-23(16-27)26(28)29/h3-7,10-11,13,18,23H,8-9,12,14-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.08E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361043
PNG
(CHEMBL1935582)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C27H33NO3/c1-19-22(15-28-16-23(17-28)26(29)30)10-9-21-13-24(11-12-25(19)21)31-18-27(2,3)14-20-7-5-4-6-8-20/h4-8,11-13,23H,9-10,14-18H2,1-3H3,(H,29,30)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361044
PNG
(CHEMBL1935583)
Show SMILES C[C@@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9|
Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/an/an/a 1.10E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361046
PNG
(CHEMBL1935585)
Show SMILES CC[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:10|
Show InChI InChI=1S/C27H32FNO3/c1-3-19(12-20-4-8-24(28)9-5-20)17-32-25-10-11-26-18(2)22(7-6-21(26)13-25)14-29-15-23(16-29)27(30)31/h4-5,8-11,13,19,23H,3,6-7,12,14-17H2,1-2H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 2.93E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361047
PNG
(CHEMBL1935586)
Show SMILES CC(C)[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C28H34FNO3/c1-18(2)23(12-20-4-8-25(29)9-5-20)17-33-26-10-11-27-19(3)22(7-6-21(27)13-26)14-30-15-24(16-30)28(31)32/h4-5,8-11,13,18,23-24H,6-7,12,14-17H2,1-3H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361044
PNG
(CHEMBL1935583)
Show SMILES C[C@@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9|
Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/an/an/a 0.850n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361045
PNG
(CHEMBL1935584)
Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:9|
Show InChI InChI=1S/C26H30FNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1
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n/an/an/an/a 0.370n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361039
PNG
(CHEMBL1935578)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3F)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)9-8-19-13-22(10-11-23(17)19)30-12-4-6-18-5-2-3-7-24(18)26/h2-3,5,7,10-11,13,21H,4,6,8-9,12,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 2.70n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361043
PNG
(CHEMBL1935582)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C27H33NO3/c1-19-22(15-28-16-23(17-28)26(29)30)10-9-21-13-24(11-12-25(19)21)31-18-27(2,3)14-20-7-5-4-6-8-20/h4-8,11-13,23H,9-10,14-18H2,1-3H3,(H,29,30)
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n/an/an/an/a 20n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361048
PNG
(CHEMBL1935587)
Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(Cl)cc1 |r,t:9|
Show InChI InChI=1S/C26H30ClNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1
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n/an/an/an/a 8.20E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361037
PNG
(CHEMBL1935576)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccc(F)cc3)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)7-6-19-13-23(10-11-24(17)19)30-12-2-3-18-4-8-22(26)9-5-18/h4-5,8-11,13,21H,2-3,6-7,12,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 0.840n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361046
PNG
(CHEMBL1935585)
Show SMILES CC[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:10|
Show InChI InChI=1S/C27H32FNO3/c1-3-19(12-20-4-8-24(28)9-5-20)17-32-25-10-11-26-18(2)22(7-6-21(26)13-25)14-29-15-23(16-29)27(30)31/h4-5,8-11,13,19,23H,3,6-7,12,14-17H2,1-2H3,(H,30,31)/t19-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361047
PNG
(CHEMBL1935586)
Show SMILES CC(C)[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(F)cc1 |r,t:11|
Show InChI InChI=1S/C28H34FNO3/c1-18(2)23(12-20-4-8-25(29)9-5-20)17-33-26-10-11-27-19(3)22(7-6-21(27)13-26)14-30-15-24(16-30)28(31)32/h4-5,8-11,13,18,23-24H,6-7,12,14-17H2,1-3H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361036
PNG
(CHEMBL1935575)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361040
PNG
(CHEMBL1935579)
Show SMILES CC(CCOc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)c1ccccc1 |t:10|
Show InChI InChI=1S/C26H31NO3/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.20E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361038
PNG
(CHEMBL1935577)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3cccc(F)c3)ccc12 |c:1|
Show InChI InChI=1S/C25H28FNO3/c1-17-20(14-27-15-21(16-27)25(28)29)8-7-19-13-23(9-10-24(17)19)30-11-3-5-18-4-2-6-22(26)12-18/h2,4,6,9-10,12-13,21H,3,5,7-8,11,14-16H2,1H3,(H,28,29)
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n/an/an/an/a 4n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361048
PNG
(CHEMBL1935587)
Show SMILES C[C@H](COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1)Cc1ccc(Cl)cc1 |r,t:9|
Show InChI InChI=1S/C26H30ClNO3/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30)/t17-/m0/s1
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n/an/an/an/a 0.550n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level


Bioorg Med Chem Lett 22: 144-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.048
BindingDB Entry DOI: 10.7270/Q28G8M46
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%