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8 similar compounds to monomer 50361905

Compile data set for download or QSAR
Wt: 422.3
BDBM50361892
Wt: 423.3
BDBM50361895
Wt: 423.3
BDBM50361899
Wt: 423.3
BDBM50361901
Wt: 423.3
BDBM50361902
Wt: 423.3
BDBM50361904
Wt: 453.4
BDBM50384698
Wt: 451.4
BDBM50384703

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50361892,50361895,50361899,50361901,50361902,50361904,50384698,50384703   
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))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 70n/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))
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 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))
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))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 1.50E+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))
BDBM50384698
PNG
(CHEMBL2037132)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CO)cc12
Show InChI InChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33)
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n/an/an/an/a 18n/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))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 1.50E+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))
BDBM50384703
PNG
(CHEMBL2037122)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CN)c12
Show InChI InChI=1S/C25H20F3N3O2/c1-31-14-20(23(32)19-9-5-8-16(13-29)22(19)31)24(33)30-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-12,14H,13,29H2,1H3,(H,30,33)
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n/an/an/an/a 5.60E+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))
BDBM50384698
PNG
(CHEMBL2037132)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CO)cc12
Show InChI InChI=1S/C24H18F3N3O3/c1-30-12-19(22(32)18-11-28-16(13-31)10-21(18)30)23(33)29-15-7-8-17(14-5-3-2-4-6-14)20(9-15)24(25,26)27/h2-12,31H,13H2,1H3,(H,29,33)
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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))
BDBM50361892
PNG
(CHEMBL1938937)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Show InChI InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
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n/an/an/an/a 70n/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))
BDBM50384703
PNG
(CHEMBL2037122)
Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cccc(CN)c12
Show InChI InChI=1S/C25H20F3N3O2/c1-31-14-20(23(32)19-9-5-8-16(13-29)22(19)31)24(33)30-17-10-11-18(15-6-3-2-4-7-15)21(12-17)25(26,27)28/h2-12,14H,13,29H2,1H3,(H,30,33)
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n/an/an/an/a 81n/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
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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



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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