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PubMed code 27027817

Compile data set for download or QSAR
Found 50 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))
BDBM50164820
PNG
(CHEMBL3800496)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)-c1ccccc1 |r|
Show InChI InChI=1/C28H30N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h5-13,22,33-34H,4,14-16H2,1-3H3,(H,29,35)/t22-/s2
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n/an/an/an/a 28n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164827
PNG
(CHEMBL3798690)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C2CCCC2)c(OC)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-12-19(11-16(2)24(17)36-15-20(33)13-28-23(34)14-32)25-30-27(37-31-25)22-10-9-21(26(29-22)35-3)18-7-5-6-8-18/h9-12,18,20,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 1.40n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164831
PNG
(CHEMBL3798060)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(C)c(OC2CCCC2)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-10-19(9-16(2)25(18)35-15-21(33)13-29-24(34)14-32)26-30-27(37-31-26)20-11-23(17(3)28-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,29,34)/t21-/s2
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n/an/an/an/a 21n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164828
PNG
(CHEMBL3797447)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(C2CCCC2)c(OC)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-11-22(35-3)24(29-12-20)18-7-5-6-8-18/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 0.300n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164809
PNG
(CHEMBL3800028)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(OC2CCCC2)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-12-19(11-17(3)25(18)35-15-20(33)13-28-23(34)14-32)26-30-27(37-31-26)22-9-16(2)10-24(29-22)36-21-7-5-6-8-21/h9-12,20-21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 1n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164812
PNG
(CHEMBL3797747)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)cc(n1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)13-28-24(34)14-32)26-30-27(37-31-26)23-12-21(35-3)11-22(29-23)18-7-5-6-8-18/h9-12,18,20,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 0.700n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164815
PNG
(CHEMBL3798969)
Show SMILES CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C28H36N4O6/c1-4-18-11-19(10-17(3)26(18)36-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)20-12-21(5-2)30-25(13-20)37-23-8-6-7-9-23/h10-13,22-23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/s2
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n/an/an/an/a 1.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164827
PNG
(CHEMBL3798690)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C2CCCC2)c(OC)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-12-19(11-16(2)24(17)36-15-20(33)13-28-23(34)14-32)25-30-27(37-31-25)22-10-9-21(26(29-22)35-3)18-7-5-6-8-18/h9-12,18,20,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 920n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164818
PNG
(CHEMBL3800120)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCC2)c1 |r|
Show InChI InChI=1/C26H32N4O6/c1-4-17-10-18(8-15(2)24(17)34-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-9-16(3)28-23(11-19)35-21-6-5-7-21/h8-11,20-21,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/s2
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n/an/an/an/a 110n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164819
PNG
(CHEMBL3799305)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1 |r|
Show InChI InChI=1/C25H32N4O6/c1-6-17-9-18(7-15(4)23(17)33-13-20(31)11-26-21(32)12-30)24-28-25(35-29-24)19-8-16(5)27-22(10-19)34-14(2)3/h7-10,14,20,30-31H,6,11-13H2,1-5H3,(H,26,32)/t20-/s2
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n/an/an/an/a 95n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164824
PNG
(CHEMBL3799872)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CC(C)C)nc(OC)c1 |r|
Show InChI InChI=1/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-21(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-20(7-15(2)3)28-23(11-19)34-5/h8-11,15,21,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t21-/s2
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n/an/an/an/a 27n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164830
PNG
(CHEMBL3799227)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(OC)c(c1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 1.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164813
PNG
(CHEMBL3797365)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)cc(CC(C)C)n1 |r|
Show InChI InChI=1/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-20(32)12-27-23(33)13-31)25-29-26(36-30-25)22-11-21(34-5)10-19(28-22)7-15(2)3/h8-11,15,20,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t20-/s2
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n/an/an/an/a 1.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164822
PNG
(CHEMBL3797626)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-11-22(18-7-5-6-8-18)29-24(12-20)35-3/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 0.600n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164824
PNG
(CHEMBL3799872)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CC(C)C)nc(OC)c1 |r|
Show InChI InChI=1/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-21(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-20(7-15(2)3)28-23(11-19)34-5/h8-11,15,21,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t21-/s2
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n/an/an/an/a 0.300n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164810
PNG
(CHEMBL3799976)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(cc(OC)n1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-20(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)22-11-19(12-24(29-22)35-3)18-7-5-6-8-18/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 1.50E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164813
PNG
(CHEMBL3797365)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)cc(CC(C)C)n1 |r|
Show InChI InChI=1/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-20(32)12-27-23(33)13-31)25-29-26(36-30-25)22-11-21(34-5)10-19(28-22)7-15(2)3/h8-11,15,20,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t20-/s2
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n/an/an/an/a 1.40E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164823
PNG
(CHEMBL3800133)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCC1 |r|
Show InChI InChI=1/C26H32N4O6/c1-4-16-9-18(8-15(2)24(16)35-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-21(17-6-5-7-17)28-23(11-19)34-3/h8-11,17,20,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/s2
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n/an/an/an/a 22n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164825
PNG
(CHEMBL3800336)
Show SMILES CCC(CC)c1cc(cc(OC)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)22-11-20(12-24(29-22)35-5)27-30-26(31-37-27)19-9-16(4)25(18(8-3)10-19)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164829
PNG
(CHEMBL3800402)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(OC2CCCC2)c(C)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-28-23(34)14-32)25-30-27(37-31-25)20-10-17(3)26(29-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164807
PNG
(CHEMBL3799953)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)c(cn1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164818
PNG
(CHEMBL3800120)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCC2)c1 |r|
Show InChI InChI=1/C26H32N4O6/c1-4-17-10-18(8-15(2)24(17)34-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-9-16(3)28-23(11-19)35-21-6-5-7-21/h8-11,20-21,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164823
PNG
(CHEMBL3800133)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCC1 |r|
Show InChI InChI=1/C26H32N4O6/c1-4-16-9-18(8-15(2)24(16)35-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-10-21(17-6-5-7-17)28-23(11-19)34-3/h8-11,17,20,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164809
PNG
(CHEMBL3800028)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(OC2CCCC2)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-12-19(11-17(3)25(18)35-15-20(33)13-28-23(34)14-32)26-30-27(37-31-26)22-9-16(2)10-24(29-22)36-21-7-5-6-8-21/h9-12,20-21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 930n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164829
PNG
(CHEMBL3800402)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(OC2CCCC2)c(C)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)24(18)35-15-21(33)13-28-23(34)14-32)25-30-27(37-31-25)20-10-17(3)26(29-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164831
PNG
(CHEMBL3798060)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(C)c(OC2CCCC2)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-10-19(9-16(2)25(18)35-15-21(33)13-29-24(34)14-32)26-30-27(37-31-26)20-11-23(17(3)28-12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,29,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164817
PNG
(CHEMBL3800019)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCCC2)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 190n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164821
PNG
(CHEMBL3798839)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCCC1 |r|
Show InChI InChI=1/C28H36N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h10-13,19,22,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164811
PNG
(CHEMBL3797486)
Show SMILES CCC(CC)c1cc(OC)nc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164816
PNG
(CHEMBL3799580)
Show SMILES CCc1cc(cc(OC2CCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-18(9-16(3)25(17)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)19-11-20(5-2)29-24(12-19)36-22-7-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164819
PNG
(CHEMBL3799305)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1 |r|
Show InChI InChI=1/C25H32N4O6/c1-6-17-9-18(7-15(4)23(17)33-13-20(31)11-26-21(32)12-30)24-28-25(35-29-24)19-8-16(5)27-22(10-19)34-14(2)3/h7-10,14,20,30-31H,6,11-13H2,1-5H3,(H,26,32)/t20-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164821
PNG
(CHEMBL3798839)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCCC1 |r|
Show InChI InChI=1/C28H36N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h10-13,19,22,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164825
PNG
(CHEMBL3800336)
Show SMILES CCC(CC)c1cc(cc(OC)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)22-11-20(12-24(29-22)35-5)27-30-26(31-37-27)19-9-16(4)25(18(8-3)10-19)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/s2
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n/an/an/an/a 0.400n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164808
PNG
(CHEMBL3797376)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC2CCCC2)cc(C)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-20(33)13-28-24(34)14-32)26-30-27(37-31-26)23-12-22(10-17(3)29-23)36-21-7-5-6-8-21/h9-12,20-21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 1.40E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164828
PNG
(CHEMBL3797447)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(C2CCCC2)c(OC)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-11-22(35-3)24(29-12-20)18-7-5-6-8-18/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164830
PNG
(CHEMBL3799227)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(OC)c(c1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164810
PNG
(CHEMBL3799976)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(cc(OC)n1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-20(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)22-11-19(12-24(29-22)35-3)18-7-5-6-8-18/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 4.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164826
PNG
(CHEMBL3126592)
Show SMILES CCN(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C26H35N5O5/c1-6-18-11-19(9-16(4)24(18)35-15-21(33)13-27-23(34)14-32)25-29-26(36-30-25)20-10-17(5)28-22(12-20)31(7-2)8-3/h9-12,21,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t21-/s2
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n/an/an/an/a 0.600n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164807
PNG
(CHEMBL3799953)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)c(cn1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/s2
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n/an/an/an/a 210n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164812
PNG
(CHEMBL3797747)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)cc(n1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)13-28-24(34)14-32)26-30-27(37-31-26)23-12-21(35-3)11-22(29-23)18-7-5-6-8-18/h9-12,18,20,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 800n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164815
PNG
(CHEMBL3798969)
Show SMILES CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C28H36N4O6/c1-4-18-11-19(10-17(3)26(18)36-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)20-12-21(5-2)30-25(13-20)37-23-8-6-7-9-23/h10-13,22-23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/s2
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n/an/an/an/a 50n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164820
PNG
(CHEMBL3800496)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)-c1ccccc1 |r|
Show InChI InChI=1/C28H30N4O6/c1-4-18-11-20(10-17(2)26(18)37-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)21-12-23(30-25(13-21)36-3)19-8-6-5-7-9-19/h5-13,22,33-34H,4,14-16H2,1-3H3,(H,29,35)/t22-/s2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164822
PNG
(CHEMBL3797626)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC)nc(c1)C1CCCC1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-11-22(18-7-5-6-8-18)29-24(12-20)35-3/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 71n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164814
PNG
(CHEMBL3800001)
Show SMILES CCC(CC)c1cc(OC)cc(n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)22-11-21(35-5)12-23(29-22)27-30-26(31-37-27)19-9-16(4)25(18(8-3)10-19)36-15-20(33)13-28-24(34)14-32/h9-12,17,20,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t20-/s2
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n/an/an/an/a 1.20n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164817
PNG
(CHEMBL3800019)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCCC2)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 1n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164816
PNG
(CHEMBL3799580)
Show SMILES CCc1cc(cc(OC2CCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-17-10-18(9-16(3)25(17)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)19-11-20(5-2)29-24(12-19)36-22-7-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/s2
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n/an/an/an/a 55n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164808
PNG
(CHEMBL3797376)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(OC2CCCC2)cc(C)n1 |r|
Show InChI InChI=1/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-20(33)13-28-24(34)14-32)26-30-27(37-31-26)23-12-22(10-17(3)29-23)36-21-7-5-6-8-21/h9-12,20-21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t20-/s2
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n/an/an/an/a 11n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164811
PNG
(CHEMBL3797486)
Show SMILES CCC(CC)c1cc(OC)nc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164826
PNG
(CHEMBL3126592)
Show SMILES CCN(CC)c1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C26H35N5O5/c1-6-18-11-19(9-16(4)24(18)35-15-21(33)13-27-23(34)14-32)25-29-26(36-30-25)20-10-17(5)28-22(12-20)31(7-2)8-3/h9-12,21,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t21-/s2
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164814
PNG
(CHEMBL3800001)
Show SMILES CCC(CC)c1cc(OC)cc(n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1/C27H36N4O6/c1-6-17(7-2)22-11-21(35-5)12-23(29-22)27-30-26(31-37-27)19-9-16(4)25(18(8-3)10-19)36-15-20(33)13-28-24(34)14-32/h9-12,17,20,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t20-/s2
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n/an/an/an/a 520n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP


Eur J Med Chem 115: 326-41 (2016)


BindingDB Entry DOI: 10.7270/Q2M90BK2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%