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23 similar compounds to monomer 50361892

Compile data set for download or QSAR
Wt: 423.3
BDBM50361893
Wt: 423.3
BDBM50361895
Wt: 423.3
BDBM50361896
Wt: 423.3
BDBM50361897
Wt: 423.3
BDBM50361899
Wt: 423.3
BDBM50361901
Wt: 423.3
BDBM50361902
Wt: 423.3
BDBM50361904
Wt: 424.3
BDBM50361905
Wt: 480.4
BDBM50384691
Wt: 466.4
BDBM50384692
Wt: 480.4
BDBM50384693
Wt: 494.4
BDBM50384694
Wt: 509.4
BDBM50384695
Wt: 535.5
BDBM50384696
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50361893,50361895,50361896,50361897,50361899,50361901,50361902,50361904,50361905,50384691,50384692,50384693,50384694,50384695,50384696   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50361893
PNG
(CHEMBL1938939)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 4.10E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 24n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 190n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361897
PNG
(CHEMBL1938941)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccncc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-9-10-27-12-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 29n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361899
PNG
(CHEMBL1938945)
Show SMILES Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-9-5-6-10-19(16)29)22(31)28-15-11-18(23(24,25)26)20(27-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.90E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361901
PNG
(CHEMBL1938946)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 60n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361902
PNG
(CHEMBL1938947)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-6-2-3-7-20(17)29)22(31)28-15-8-9-16(14-5-4-10-27-12-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 310n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361904
PNG
(CHEMBL1938948)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-4-2-3-5-20(17)29)22(31)28-15-6-7-16(14-8-10-27-11-9-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 450n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361905
PNG
(CHEMBL1938950)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
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n/an/an/an/a 200n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361905
PNG
(CHEMBL1938950)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361904
PNG
(CHEMBL1938948)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-4-2-3-5-20(17)29)22(31)28-15-6-7-16(14-8-10-27-11-9-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361902
PNG
(CHEMBL1938947)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-6-2-3-7-20(17)29)22(31)28-15-8-9-16(14-5-4-10-27-12-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361901
PNG
(CHEMBL1938946)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-6-2-3-8-20(16)29)22(31)28-14-9-10-15(18(12-14)23(24,25)26)19-7-4-5-11-27-19/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361899
PNG
(CHEMBL1938945)
Show SMILES Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)16-9-5-6-10-19(16)29)22(31)28-15-11-18(23(24,25)26)20(27-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361896
PNG
(CHEMBL1938942)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(20(30)17-8-5-11-27-21(17)29)22(31)28-15-9-10-16(14-6-3-2-4-7-14)19(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361897
PNG
(CHEMBL1938941)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccncc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-9-10-27-12-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361893
PNG
(CHEMBL1938939)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ncccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-17(21(30)20-19(29)8-5-11-27-20)22(31)28-15-9-10-16(14-6-3-2-4-7-14)18(12-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384691
PNG
(CHEMBL2037125)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12
Show InChI InChI=1S/C27H23F3N2O3/c1-32-16-22(25(34)21-11-9-17(6-5-13-33)14-24(21)32)26(35)31-19-10-12-20(18-7-3-2-4-8-18)23(15-19)27(28,29)30/h2-4,7-12,14-16,33H,5-6,13H2,1H3,(H,31,35)
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n/an/an/an/a 15n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384692
PNG
(CHEMBL2037126)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)18-9-7-15(24(33)34)11-21(18)30)23(32)29-16-8-10-17(14-5-3-2-4-6-14)20(12-16)25(26,27)28/h2-13H,1H3,(H,29,32)(H,33,34)
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n/an/an/an/a 21n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384693
PNG
(CHEMBL2037127)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C26H19F3N2O4/c1-31-14-20(24(34)19-9-7-15(11-22(19)31)12-23(32)33)25(35)30-17-8-10-18(16-5-3-2-4-6-16)21(13-17)26(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,35)(H,32,33)
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n/an/an/an/a 180n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384694
PNG
(CHEMBL2037128)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCC(O)=O)cc12
Show InChI InChI=1S/C27H21F3N2O4/c1-32-15-21(25(35)20-10-7-16(13-23(20)32)8-12-24(33)34)26(36)31-18-9-11-19(17-5-3-2-4-6-17)22(14-18)27(28,29)30/h2-7,9-11,13-15H,8,12H2,1H3,(H,31,36)(H,33,34)
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384695
PNG
(CHEMBL2037129)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12
Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(H,34,35)
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n/an/an/an/a 150n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50384696
PNG
(CHEMBL2037130)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CN3CC(C3)C(O)=O)cc12
Show InChI InChI=1S/C29H24F3N3O4/c1-34-16-23(26(36)22-9-7-17(11-25(22)34)13-35-14-19(15-35)28(38)39)27(37)33-20-8-10-21(18-5-3-2-4-6-18)24(12-20)29(30,31)32/h2-12,16,19H,13-15H2,1H3,(H,33,37)(H,38,39)
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n/an/an/an/a 25n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384691
PNG
(CHEMBL2037125)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12
Show InChI InChI=1S/C27H23F3N2O3/c1-32-16-22(25(34)21-11-9-17(6-5-13-33)14-24(21)32)26(35)31-19-10-12-20(18-7-3-2-4-8-18)23(15-19)27(28,29)30/h2-4,7-12,14-16,33H,5-6,13H2,1H3,(H,31,35)
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n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384692
PNG
(CHEMBL2037126)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C25H17F3N2O4/c1-30-13-19(22(31)18-9-7-15(24(33)34)11-21(18)30)23(32)29-16-8-10-17(14-5-3-2-4-6-14)20(12-16)25(26,27)28/h2-13H,1H3,(H,29,32)(H,33,34)
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n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384693
PNG
(CHEMBL2037127)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C26H19F3N2O4/c1-31-14-20(24(34)19-9-7-15(11-22(19)31)12-23(32)33)25(35)30-17-8-10-18(16-5-3-2-4-6-16)21(13-17)26(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,35)(H,32,33)
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n/an/an/an/a 1.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384694
PNG
(CHEMBL2037128)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCC(O)=O)cc12
Show InChI InChI=1S/C27H21F3N2O4/c1-32-15-21(25(35)20-10-7-16(13-23(20)32)8-12-24(33)34)26(36)31-18-9-11-19(17-5-3-2-4-6-17)22(14-18)27(28,29)30/h2-7,9-11,13-15H,8,12H2,1H3,(H,31,36)(H,33,34)
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n/an/an/an/a 940n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384695
PNG
(CHEMBL2037129)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12
Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(H,34,35)
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n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50384696
PNG
(CHEMBL2037130)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CN3CC(C3)C(O)=O)cc12
Show InChI InChI=1S/C29H24F3N3O4/c1-34-16-23(26(36)22-9-7-17(11-25(22)34)13-35-14-19(15-35)28(38)39)27(37)33-20-8-10-21(18-5-3-2-4-6-18)24(12-20)29(30,31)32/h2-12,16,19H,13-15H2,1H3,(H,33,37)(H,38,39)
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n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...


ACS Med Chem Lett 3: 74-78 (2012)


Article DOI: 10.1021/ml200252b
BindingDB Entry DOI: 10.7270/Q2222VTS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50361895
PNG
(CHEMBL1938940)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnccc12
Show InChI InChI=1S/C23H16F3N3O2/c1-29-13-18(21(30)17-12-27-10-9-20(17)29)22(31)28-15-7-8-16(14-5-3-2-4-6-14)19(11-15)23(24,25)26/h2-13H,1H3,(H,28,31)
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n/an/an/an/a 24n/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...


Bioorg Med Chem Lett 22: 527-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.085
BindingDB Entry DOI: 10.7270/Q2PG1S67
More data for this
Ligand-Target Pair