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PubMed code 22633692

Compile data set for download or QSAR
Found 51 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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by astemizole assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P2 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P3 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P3 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 15n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P5 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 21n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P5 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 0.75n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P4 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P4 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386856
PNG
(CHEMBL2048290)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-18-6-3-13(7-14(18)10-27)22-29-21(30-34-22)12-2-5-17-16(8-12)15-4-1-11(9-19(31)32)20(15)28-17/h2-3,5-8,11,28H,1,4,9H2,(H,31,32)
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n/an/an/an/a 3.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386858
PNG
(CHEMBL2048292)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C25H22N4O4/c1-13(2)32-21-8-5-16(9-17(21)12-26)25-28-24(29-33-25)15-4-7-20-19(10-15)18-6-3-14(11-22(30)31)23(18)27-20/h4-5,7-10,13-14,27H,3,6,11H2,1-2H3,(H,30,31)
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n/an/an/an/a 7.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 3.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.100n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 8.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 36n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 4.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.10n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386857
PNG
(CHEMBL2048291)
Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C23H18N4O4/c1-30-19-7-4-14(8-15(19)11-24)23-26-22(27-31-23)13-3-6-18-17(9-13)16-5-2-12(10-20(28)29)21(16)25-18/h3-4,6-9,12,25H,2,5,10H2,1H3,(H,28,29)
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n/an/an/an/a 4.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.73n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 239n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P4 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 462n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P4 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P2 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.520n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P2 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 289n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P5 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386860
PNG
(CHEMBL2048294)
Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1)C#N
Show InChI InChI=1S/C23H18N4O4/c1-30-18-7-13(12-24)6-17(9-18)23-25-22(26-31-23)15-2-3-19-16(8-15)10-20-14(11-21(28)29)4-5-27(19)20/h2-3,6-10,14H,4-5,11H2,1H3,(H,28,29)
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n/an/an/an/a 4.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.0800n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 5.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 123n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P3 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 11n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P5 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386863
PNG
(CHEMBL2048297)
Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1
Show InChI InChI=1S/C23H18N4O4/c1-30-20-5-3-15(9-17(20)12-24)23-25-22(26-31-23)14-2-4-18-16(8-14)10-19-13(11-21(28)29)6-7-27(18)19/h2-5,8-10,13H,6-7,11H2,1H3,(H,28,29)
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n/an/an/an/a 2.90n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 55n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P3 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386864
PNG
(CHEMBL2048298)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2n3CCC(CC(O)=O)c3cc2c1
Show InChI InChI=1S/C25H22N4O4/c1-14(2)32-22-6-4-17(10-19(22)13-26)25-27-24(28-33-25)16-3-5-20-18(9-16)11-21-15(12-23(30)31)7-8-29(20)21/h3-6,9-11,14-15H,7-8,12H2,1-2H3,(H,30,31)
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n/an/an/an/a 0.610n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 2.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.760n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386862
PNG
(CHEMBL2048296)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1ccc(OC(F)(F)F)c(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-19-4-2-14(8-16(19)11-27)22-28-21(29-34-22)13-1-3-17-15(7-13)9-18-12(10-20(31)32)5-6-30(17)18/h1-4,7-9,12H,5-6,10H2,(H,31,32)
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n/an/an/an/a 0.590n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.25n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386855
PNG
(CHEMBL2048289)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F6N3O3/c24-22(25,26)13-5-12(6-14(9-13)23(27,28)29)21-31-20(32-35-21)11-2-4-17-16(7-11)15-3-1-10(8-18(33)34)19(15)30-17/h2,4-7,9-10,30H,1,3,8H2,(H,33,34)
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n/an/an/an/a 76n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386854
PNG
(CHEMBL2048288)
Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2[nH]c3C(CC(O)=O)CCc3c2c1)C#N
Show InChI InChI=1S/C23H18N4O4/c1-30-16-7-12(11-24)6-15(8-16)23-26-22(27-31-23)14-3-5-19-18(9-14)17-4-2-13(10-20(28)29)21(17)25-19/h3,5-9,13,25H,2,4,10H2,1H3,(H,28,29)
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n/an/an/an/a 157n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50386861
PNG
(CHEMBL2048295)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F6N3O3/c24-22(25,26)15-6-14(7-16(10-15)23(27,28)29)21-30-20(31-35-21)12-1-2-17-13(5-12)8-18-11(9-19(33)34)3-4-32(17)18/h1-2,5-8,10-11H,3-4,9H2,(H,33,34)
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n/an/an/an/a 2.10n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against human S1P2 by beta arrestin recruitment assay


Bioorg Med Chem Lett 22: 4404-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%