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PubMed code 20153186

Compile data set for download or QSAR
Found 44 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))
BDBM23164
PNG
(CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-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-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50147701
PNG
(4-Amino-6-(4-octyl-phenyl)-hexanoic acid | 4-amino...)
Show SMILES CCCCCCCCc1ccc(CCC(N)CCC(O)=O)cc1
Show InChI InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)
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n/an/a 710n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50147707
PNG
(3-Amino-5-(4-octyl-phenyl)-pentanoic acid | 3-amin...)
Show SMILES CCCCCCCCc1ccc(CCC(N)CC(O)=O)cc1
Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)22/h9-12,18H,2-8,13-15,20H2,1H3,(H,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313496
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313502
PNG
((S)-4-amino-6-(4-(heptyloxy)phenyl)-4-methylhexano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H33NO3/c1-3-4-5-6-7-16-24-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19(22)23/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23)/t20-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313500
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCS(O)(=O)=O)cc1 |r|
Show InChI InChI=1S/C19H33NO4S/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H,21,22,23)/t19-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313497
PNG
((S)-1-(4-(heptyloxy)phenyl)-3-methyl-5-(1H-tetrazo...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |r|
Show InChI InChI=1S/C20H33N5O/c1-3-4-5-6-7-16-26-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19-22-24-25-23-19/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23,24,25)/t20-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313498
PNG
(5-[(S)-3-Amino-5-(4-heptyloxy-phenyl)-3-methyl-pen...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-16-28-19-10-8-18(9-11-19)12-13-21(2,22)14-15-24-17-20(25)23-29(24,26)27/h8-11H,3-7,12-17,22H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 |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-/m1/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50313495
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/an/an/a 5.40n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313495
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/an/an/a>2.20E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(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 |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-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313498
PNG
(5-[(S)-3-Amino-5-(4-heptyloxy-phenyl)-3-methyl-pen...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-16-28-19-10-8-18(9-11-19)12-13-21(2,22)14-15-24-17-20(25)23-29(24,26)27/h8-11H,3-7,12-17,22H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/an/an/a 0.850n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313496
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313497
PNG
((S)-1-(4-(heptyloxy)phenyl)-3-methyl-5-(1H-tetrazo...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |r|
Show InChI InChI=1S/C20H33N5O/c1-3-4-5-6-7-16-26-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19-22-24-25-23-19/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23,24,25)/t20-/m0/s1
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n/an/an/an/a 6.40E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313497
PNG
((S)-1-(4-(heptyloxy)phenyl)-3-methyl-5-(1H-tetrazo...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |r|
Show InChI InChI=1S/C20H33N5O/c1-3-4-5-6-7-16-26-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19-22-24-25-23-19/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23,24,25)/t20-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313502
PNG
((S)-4-amino-6-(4-(heptyloxy)phenyl)-4-methylhexano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H33NO3/c1-3-4-5-6-7-16-24-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19(22)23/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313498
PNG
(5-[(S)-3-Amino-5-(4-heptyloxy-phenyl)-3-methyl-pen...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-16-28-19-10-8-18(9-11-19)12-13-21(2,22)14-15-24-17-20(25)23-29(24,26)27/h8-11H,3-7,12-17,22H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/an/an/a 460n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313498
PNG
(5-[(S)-3-Amino-5-(4-heptyloxy-phenyl)-3-methyl-pen...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-16-28-19-10-8-18(9-11-19)12-13-21(2,22)14-15-24-17-20(25)23-29(24,26)27/h8-11H,3-7,12-17,22H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313496
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313498
PNG
(5-[(S)-3-Amino-5-(4-heptyloxy-phenyl)-3-methyl-pen...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H35N3O4S/c1-3-4-5-6-7-16-28-19-10-8-18(9-11-19)12-13-21(2,22)14-15-24-17-20(25)23-29(24,26)27/h8-11H,3-7,12-17,22H2,1-2H3,(H,23,25)/t21-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313502
PNG
((S)-4-amino-6-(4-(heptyloxy)phenyl)-4-methylhexano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H33NO3/c1-3-4-5-6-7-16-24-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19(22)23/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
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 |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-/m1/s1
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n/an/an/an/a 0.460n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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 |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-/m1/s1
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n/an/an/an/a 2.5n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313496
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313495
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313497
PNG
((S)-1-(4-(heptyloxy)phenyl)-3-methyl-5-(1H-tetrazo...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |r|
Show InChI InChI=1S/C20H33N5O/c1-3-4-5-6-7-16-26-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19-22-24-25-23-19/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23,24,25)/t20-/m0/s1
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n/an/an/an/a 670n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313502
PNG
((S)-4-amino-6-(4-(heptyloxy)phenyl)-4-methylhexano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C20H33NO3/c1-3-4-5-6-7-16-24-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19(22)23/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313497
PNG
((S)-1-(4-(heptyloxy)phenyl)-3-methyl-5-(1H-tetrazo...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 |r|
Show InChI InChI=1S/C20H33N5O/c1-3-4-5-6-7-16-26-18-10-8-17(9-11-18)12-14-20(2,21)15-13-19-22-24-25-23-19/h8-11H,3-7,12-16,21H2,1-2H3,(H,22,23,24,25)/t20-/m0/s1
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n/an/an/an/a 960n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50313500
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCS(O)(=O)=O)cc1 |r|
Show InChI InChI=1S/C19H33NO4S/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H,21,22,23)/t19-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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 |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-/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50313495
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50313501
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentyl...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CCP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C19H34NO4P/c1-3-4-5-6-7-15-24-18-10-8-17(9-11-18)12-13-19(2,20)14-16-25(21,22)23/h8-11H,3-7,12-16,20H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
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n/an/an/an/a 151n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313499
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutyl ...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)COP(O)(O)=O)cc1 |r|
Show InChI InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313495
PNG
((S)-2-amino-4-(4-(heptyloxy)phenyl)-2-methylbutano...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C18H29NO3/c1-3-4-5-6-7-14-22-16-10-8-15(9-11-16)12-13-18(2,19)17(20)21/h8-11H,3-7,12-14,19H2,1-2H3,(H,20,21)/t18-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50313496
PNG
((S)-3-amino-5-(4-(heptyloxy)phenyl)-3-methylpentan...)
Show SMILES CCCCCCCOc1ccc(CC[C@](C)(N)CC(O)=O)cc1 |r|
Show InChI InChI=1S/C19H31NO3/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-19(2,20)15-18(21)22/h8-11H,3-7,12-15,20H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding


Bioorg Med Chem Lett 20: 1485-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.118
BindingDB Entry DOI: 10.7270/Q2WD40QR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%