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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'shioya' and Initial = 'h'   
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))
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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0.574n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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0.626n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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0.772n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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29n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P4 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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>5.45E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50250631
PNG
(CHEMBL4093489)
Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14|
Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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>5.63E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method


J Med Chem 60: 9508-9530 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347145
PNG
(CHEMBL1797507)
Show SMILES OC(=O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 |t:7|
Show InChI InChI=1S/C24H29NO3/c26-24(27)13-14-25-18-20-9-10-22-17-23(12-11-21(22)16-20)28-15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,11-12,16-17,25H,4-5,8-10,13-15,18H2,(H,26,27)
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n/an/an/an/a 57n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347146
PNG
(CHEMBL1797508)
Show SMILES CC1=C(CNCCC(O)=O)CCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C25H31NO3/c1-19-22(18-26-15-14-25(27)28)11-10-21-17-23(12-13-24(19)21)29-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,17,26H,5-6,9-11,14-16,18H2,1H3,(H,27,28)
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n/an/an/an/a 11n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347147
PNG
(CHEMBL1797509)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C26H31NO3/c1-19-22(16-27-17-23(18-27)26(28)29)11-10-21-15-24(12-13-25(19)21)30-14-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,15,23H,5-6,9-11,14,16-18H2,1H3,(H,28,29)
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n/an/an/an/a 2.90n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347148
PNG
(CHEMBL1797510)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C27H33NO3/c1-20-23(17-28-18-24(19-28)27(29)30)12-7-11-22-16-25(13-14-26(20)22)31-15-6-5-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,16,24H,5-7,10-12,15,17-19H2,1H3,(H,29,30)
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n/an/an/an/a 1.30E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 3.30E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347149
PNG
(CHEMBL1797414)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-14,23H,4-5,9,15-18H2,(H,24,25)/b10-6+
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347150
PNG
(CHEMBL1797499)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c25-23(26)16-18-24-17-7-11-21-12-14-22(15-13-21)27-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-15,24H,2,5-6,10,16-19H2,(H,25,26)/b11-7+
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n/an/an/an/a 6.70E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347151
PNG
(CHEMBL1797500)
Show SMILES Cc1cc(\C=C\CNCCC(O)=O)ccc1OCCCCc1ccccc1
Show InChI InChI=1S/C23H29NO3/c1-19-18-21(11-7-15-24-16-14-23(25)26)12-13-22(19)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347152
PNG
(CHEMBL1797501)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1Cl
Show InChI InChI=1S/C22H26ClNO3/c23-21-17-20(27-16-5-4-9-18-7-2-1-3-8-18)12-11-19(21)10-6-14-24-15-13-22(25)26/h1-3,6-8,10-12,17,24H,4-5,9,13-16H2,(H,25,26)/b10-6+
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n/an/an/an/a 7.20E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347154
PNG
(CHEMBL1797503)
Show SMILES Cc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO3/c1-19-18-22(27-17-6-5-10-20-8-3-2-4-9-20)13-12-21(19)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347155
PNG
(CHEMBL1797504)
Show SMILES OC(=O)C1CN(C\C=C\c2ccc(OCCCc3ccccc3)cc2)C1
Show InChI InChI=1S/C22H25NO3/c24-22(25)20-16-23(17-20)14-4-8-19-10-12-21(13-11-19)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,20H,5,9,14-17H2,(H,24,25)/b8-4+
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n/an/an/an/a 3.30E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347156
PNG
(CHEMBL1797505)
Show SMILES OC(=O)C1CCN(C\C=C\c2ccc(OCCCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C24H29NO3/c26-24(27)22-14-17-25(18-15-22)16-4-8-21-10-12-23(13-11-21)28-19-5-9-20-6-2-1-3-7-20/h1-4,6-8,10-13,22H,5,9,14-19H2,(H,26,27)/b8-4+
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Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347157
PNG
(CHEMBL1797506)
Show SMILES C\C(CNCCC(O)=O)=C/c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-19(18-24-15-14-23(25)26)17-21-10-12-22(13-11-21)27-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,24H,5-6,9,14-16,18H2,1H3,(H,25,26)/b19-17+
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n/an/an/an/a 3.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347145
PNG
(CHEMBL1797507)
Show SMILES OC(=O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 |t:7|
Show InChI InChI=1S/C24H29NO3/c26-24(27)13-14-25-18-20-9-10-22-17-23(12-11-21(22)16-20)28-15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,11-12,16-17,25H,4-5,8-10,13-15,18H2,(H,26,27)
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n/an/an/an/a 7.80E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347146
PNG
(CHEMBL1797508)
Show SMILES CC1=C(CNCCC(O)=O)CCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C25H31NO3/c1-19-22(18-26-15-14-25(27)28)11-10-21-17-23(12-13-24(19)21)29-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,17,26H,5-6,9-11,14-16,18H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347147
PNG
(CHEMBL1797509)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C26H31NO3/c1-19-22(16-27-17-23(18-27)26(28)29)11-10-21-15-24(12-13-25(19)21)30-14-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,15,23H,5-6,9-11,14,16-18H2,1H3,(H,28,29)
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50347148
PNG
(CHEMBL1797510)
Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCCc2cc(OCCCCc3ccccc3)ccc12 |c:1|
Show InChI InChI=1S/C27H33NO3/c1-20-23(17-28-18-24(19-28)27(29)30)12-7-11-22-16-25(13-14-26(20)22)31-15-6-5-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,16,24H,5-7,10-12,15,17-19H2,1H3,(H,29,30)
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n/an/an/an/a>1.00E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50337599
PNG
((E/Z)-3-(3-(4-(3-phenylpropoxy)phenyl)allylamino)p...)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H25NO3/c23-21(24)14-16-22-15-4-8-19-10-12-20(13-11-19)25-17-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,22H,5,9,14-17H2,(H,23,24)/b8-4+
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n/an/an/an/a 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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347150
PNG
(CHEMBL1797499)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c25-23(26)16-18-24-17-7-11-21-12-14-22(15-13-21)27-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-15,24H,2,5-6,10,16-19H2,(H,25,26)/b11-7+
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n/an/an/an/a 150n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347151
PNG
(CHEMBL1797500)
Show SMILES Cc1cc(\C=C\CNCCC(O)=O)ccc1OCCCCc1ccccc1
Show InChI InChI=1S/C23H29NO3/c1-19-18-21(11-7-15-24-16-14-23(25)26)12-13-22(19)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 280n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347152
PNG
(CHEMBL1797501)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1Cl
Show InChI InChI=1S/C22H26ClNO3/c23-21-17-20(27-16-5-4-9-18-7-2-1-3-8-18)12-11-19(21)10-6-14-24-15-13-22(25)26/h1-3,6-8,10-12,17,24H,4-5,9,13-16H2,(H,25,26)/b10-6+
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n/an/an/an/a 24n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347153
PNG
(CHEMBL1797502)
Show SMILES COc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO4/c1-27-22-18-21(28-17-6-5-10-19-8-3-2-4-9-19)13-12-20(22)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 230n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347154
PNG
(CHEMBL1797503)
Show SMILES Cc1cc(OCCCCc2ccccc2)ccc1\C=C\CNCCC(O)=O
Show InChI InChI=1S/C23H29NO3/c1-19-18-22(27-17-6-5-10-20-8-3-2-4-9-20)13-12-21(19)11-7-15-24-16-14-23(25)26/h2-4,7-9,11-13,18,24H,5-6,10,14-17H2,1H3,(H,25,26)/b11-7+
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n/an/an/an/a 36n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347155
PNG
(CHEMBL1797504)
Show SMILES OC(=O)C1CN(C\C=C\c2ccc(OCCCc3ccccc3)cc2)C1
Show InChI InChI=1S/C22H25NO3/c24-22(25)20-16-23(17-20)14-4-8-19-10-12-21(13-11-19)26-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-13,20H,5,9,14-17H2,(H,24,25)/b8-4+
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n/an/an/an/a 43n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347156
PNG
(CHEMBL1797505)
Show SMILES OC(=O)C1CCN(C\C=C\c2ccc(OCCCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C24H29NO3/c26-24(27)22-14-17-25(18-15-22)16-4-8-21-10-12-23(13-11-21)28-19-5-9-20-6-2-1-3-7-20/h1-4,6-8,10-13,22H,5,9,14-19H2,(H,26,27)/b8-4+
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n/an/an/an/a 2.40E+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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347157
PNG
(CHEMBL1797506)
Show SMILES C\C(CNCCC(O)=O)=C/c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-19(18-24-15-14-23(25)26)17-21-10-12-22(13-11-21)27-16-6-5-9-20-7-3-2-4-8-20/h2-4,7-8,10-13,17,24H,5-6,9,14-16,18H2,1H3,(H,25,26)/b19-17+
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n/an/an/an/a 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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50347149
PNG
(CHEMBL1797414)
Show SMILES OC(=O)CCNC\C=C\c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H27NO3/c24-22(25)15-17-23-16-6-10-20-11-13-21(14-12-20)26-18-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-14,23H,4-5,9,15-18H2,(H,24,25)/b10-6+
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n/an/an/an/a 120n/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 intracellular calcium levels


Bioorg Med Chem Lett 21: 3885-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.029
BindingDB Entry DOI: 10.7270/Q2NS0V7X
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 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))
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))
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))
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 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))
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 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 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))
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 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
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))
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
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