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PubMed code 24900287

Compile data set for download or QSAR
Found 47 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50336946
PNG
(1-((4-(5-(2-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336943
PNG
(1-(4-(7-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluoro...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(13-28-14-20(15-28)25(30)31)6-7-21(22)23-16-29-9-8-18(12-24(29)27-23)10-17-4-2-1-3-5-17/h1-9,11-12,16,20H,10,13-15H2,(H,30,31)
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n/an/an/an/a 6.09E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336948
PNG
(1-(3-Fluoro-4-(5-(2-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1ccccc1Cc1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C26H23FN2O2S/c1-16-4-2-3-5-19(16)10-17-7-9-24-23(12-17)28-25(32-24)21-8-6-18(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 2.44E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336952
PNG
(1-(4-(5-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3cc(Cc4ccccc4)ccc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-12-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-11-18(6-8-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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n/an/an/an/a 1.11E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336941
PNG
(1-(4-(6-Benzyl-1H-benzo[d]imidazol-2-yl)-3-fluorob...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-21-11-18(13-29-14-19(15-29)25(30)31)6-8-20(21)24-27-22-9-7-17(12-23(22)28-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,27,28)(H,30,31)
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n/an/an/an/a>6.25E+3n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336951
PNG
(1-((4-(5-(2,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-18-4-3-16(20(27)10-18)7-14-2-6-23-22(9-14)29-24(33-23)19-5-1-15(8-21(19)28)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)
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n/an/an/an/a 42n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336953
PNG
(1-((4-(5-(3,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-19-5-2-14(8-21(19)28)7-15-3-6-23-22(10-15)29-24(33-23)18-4-1-16(9-20(18)27)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)
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n/an/an/an/a 30n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336948
PNG
(1-(3-Fluoro-4-(5-(2-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1ccccc1Cc1ccc2sc(nc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C26H23FN2O2S/c1-16-4-2-3-5-19(16)10-17-7-9-24-23(12-17)28-25(32-24)21-8-6-18(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 26n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336950
PNG
(1-(3-Fluoro-4-(5-(4-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1ccc(Cc2ccc3sc(nc3c2)-c2ccc(CN3CC(C3)C(O)=O)cc2F)cc1
Show InChI InChI=1S/C26H23FN2O2S/c1-16-2-4-17(5-3-16)10-18-7-9-24-23(12-18)28-25(32-24)21-8-6-19(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 1.80E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336940
PNG
(1-(4-(6-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluoro...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(12-28-14-20(15-28)25(30)31)6-8-21(22)23-16-29-13-18(7-9-24(29)27-23)10-17-4-2-1-3-5-17/h1-9,11,13,16,20H,10,12,14-15H2,(H,30,31)
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n/an/an/an/a 6.72E+3n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336939
PNG
(1-((4-(5-(2,6-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5c(F)cccc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-19-2-1-3-20(27)18(19)8-14-5-7-23-22(10-14)29-24(33-23)17-6-4-15(9-21(17)28)11-30-12-16(13-30)25(31)32/h1-7,9-10,16H,8,11-13H2,(H,31,32)
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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-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336940
PNG
(1-(4-(6-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluoro...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(12-28-14-20(15-28)25(30)31)6-8-21(22)23-16-29-13-18(7-9-24(29)27-23)10-17-4-2-1-3-5-17/h1-9,11,13,16,20H,10,12,14-15H2,(H,30,31)
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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-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336944
PNG
(1-((4-(5-(2-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 4.88E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336946
PNG
(1-((4-(5-(2-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 3.47E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336949
PNG
(1-((4-(5-(4-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-19-5-1-15(2-6-19)9-16-4-8-23-22(11-16)28-24(32-23)20-7-3-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 1.91E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336954
PNG
(1-((4-(5-(3-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-19-3-1-2-15(9-19)8-16-5-7-23-22(11-16)28-24(32-23)20-6-4-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-7,9-11,18H,8,12-14H2,(H,30,31)
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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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336955
PNG
(1-(4-(6-Benzylbenzofuran-2-yl)-3-fluorobenzyl)azet...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1
Show InChI InChI=1S/C26H22FNO3/c27-23-11-19(14-28-15-21(16-28)26(29)30)7-9-22(23)25-13-20-8-6-18(12-24(20)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,29,30)
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n/an/an/an/a 13n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335462
PNG
(1-(4-(5-benzylbenzofuran-2-yl)-3-fluorobenzyl)azet...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1
Show InChI InChI=1S/C26H22FNO3/c27-23-12-19(14-28-15-21(16-28)26(29)30)6-8-22(23)25-13-20-11-18(7-9-24(20)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,29,30)
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n/an/an/an/a 1.73E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 1.21E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336954
PNG
(1-((4-(5-(3-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-19-3-1-2-15(9-19)8-16-5-7-23-22(11-16)28-24(32-23)20-6-4-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-7,9-11,18H,8,12-14H2,(H,30,31)
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n/an/an/an/a 687n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336956
PNG
(1-(4-(6-Benzylbenzo[d]oxazol-2-yl)-3-fluorobenzyl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O3/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 542n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336945
PNG
(1-((4-(5-(3-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-19-3-1-2-15(9-19)8-16-5-7-23-22(11-16)28-24(32-23)20-6-4-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-7,9-11,18H,8,12-14H2,(H,30,31)
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n/an/an/an/a 3.88E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336951
PNG
(1-((4-(5-(2,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-18-4-3-16(20(27)10-18)7-14-2-6-23-22(9-14)29-24(33-23)19-5-1-15(8-21(19)28)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336953
PNG
(1-((4-(5-(3,4-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-19-5-2-14(8-21(19)28)7-15-3-6-23-22(10-15)29-24(33-23)18-4-1-16(9-20(18)27)11-30-12-17(13-30)25(31)32/h1-6,8-10,17H,7,11-13H2,(H,31,32)
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n/an/an/an/a 967n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336957
PNG
(1-(4-(5-Benzylbenzo[d]oxazol-2-yl)-3-fluorobenzyl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O3/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 325n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335462
PNG
(1-(4-(5-benzylbenzofuran-2-yl)-3-fluorobenzyl)azet...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1
Show InChI InChI=1S/C26H22FNO3/c27-23-12-19(14-28-15-21(16-28)26(29)30)6-8-22(23)25-13-20-11-18(7-9-24(20)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,29,30)
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n/an/an/an/a 57n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336945
PNG
(1-((4-(5-(3-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-19-3-1-2-15(9-19)8-16-5-7-23-22(11-16)28-24(32-23)20-6-4-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-7,9-11,18H,8,12-14H2,(H,30,31)
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n/an/an/an/a 49n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336944
PNG
(1-((4-(5-(2-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 42n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 42n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336942
PNG
(1-(3-Fluoro-4-(5-(3-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1cccc(Cc2ccc3sc(nc3c2)-c2ccc(CN3CC(C3)C(O)=O)cc2F)c1
Show InChI InChI=1S/C26H23FN2O2S/c1-16-3-2-4-17(9-16)10-18-6-8-24-23(12-18)28-25(32-24)21-7-5-19(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a>2.50E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336952
PNG
(1-(4-(5-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3cc(Cc4ccccc4)ccc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-12-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-11-18(6-8-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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n/an/an/an/a 2.89E+3n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336943
PNG
(1-(4-(7-Benzylimidazo[1,2-a]pyridin-2-yl)-3-fluoro...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(13-28-14-20(15-28)25(30)31)6-7-21(22)23-16-29-9-8-18(12-24(29)27-23)10-17-4-2-1-3-5-17/h1-9,11-12,16,20H,10,13-15H2,(H,30,31)
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n/an/an/an/a 741n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336938
PNG
(1-((4-(5-(4-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(Cl)cc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-19-5-1-15(2-6-19)9-16-4-8-23-22(11-16)28-24(32-23)20-7-3-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 159n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336956
PNG
(1-(4-(6-Benzylbenzo[d]oxazol-2-yl)-3-fluorobenzyl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O3/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 94n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336950
PNG
(1-(3-Fluoro-4-(5-(4-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1ccc(Cc2ccc3sc(nc3c2)-c2ccc(CN3CC(C3)C(O)=O)cc2F)cc1
Show InChI InChI=1S/C26H23FN2O2S/c1-16-2-4-17(5-3-16)10-18-7-9-24-23(12-18)28-25(32-24)21-8-6-19(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 77n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336941
PNG
(1-(4-(6-Benzyl-1H-benzo[d]imidazol-2-yl)-3-fluorob...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c(F)c2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-21-11-18(13-29-14-19(15-29)25(30)31)6-8-20(21)24-27-22-9-7-17(12-23(22)28-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,27,28)(H,30,31)
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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-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335508
PNG
(1-(4-(6-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 3.47E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336947
PNG
(1-(4-(6-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3ccc(Cc4ccccc4)cc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-8-6-18(12-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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n/an/an/an/a 2.71E+3n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336955
PNG
(1-(4-(6-Benzylbenzofuran-2-yl)-3-fluorobenzyl)azet...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1
Show InChI InChI=1S/C26H22FNO3/c27-23-11-19(14-28-15-21(16-28)26(29)30)7-9-22(23)25-13-20-8-6-18(12-24(20)31-25)10-17-4-2-1-3-5-17/h1-9,11-13,21H,10,14-16H2,(H,29,30)
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n/an/an/an/a 679n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336957
PNG
(1-(4-(5-Benzylbenzo[d]oxazol-2-yl)-3-fluorobenzyl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O3/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 354n/an/an/an/a



TBA

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


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336947
PNG
(1-(4-(6-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...)
Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3ccc(Cc4ccccc4)cc3n2)C1
Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-8-6-18(12-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)
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n/an/an/an/a 1.81E+3n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335508
PNG
(1-(4-(6-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
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n/an/an/an/a 221n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336939
PNG
(1-((4-(5-(2,6-Difluorobenzyl)benzo[d]thiazol-2-yl)...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5c(F)cccc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H19F3N2O2S/c26-19-2-1-3-20(27)18(19)8-14-5-7-23-22(10-14)29-24(33-23)17-6-4-15(9-21(17)28)11-30-12-16(13-30)25(31)32/h1-7,9-10,16H,8,11-13H2,(H,31,32)
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n/an/an/an/a 126n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336942
PNG
(1-(3-Fluoro-4-(5-(3-methylbenzyl)benzo[d]thiazol-2...)
Show SMILES Cc1cccc(Cc2ccc3sc(nc3c2)-c2ccc(CN3CC(C3)C(O)=O)cc2F)c1
Show InChI InChI=1S/C26H23FN2O2S/c1-16-3-2-4-17(9-16)10-18-6-8-24-23(12-18)28-25(32-24)21-7-5-19(11-22(21)27)13-29-14-20(15-29)26(30)31/h2-9,11-12,20H,10,13-15H2,1H3,(H,30,31)
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n/an/an/an/a 54n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336946
PNG
(1-((4-(5-(2-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-20-4-2-1-3-17(20)9-15-6-8-23-22(11-15)28-24(32-23)19-7-5-16(10-21(19)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 42n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50336949
PNG
(1-((4-(5-(4-Fluorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20F2N2O2S/c26-19-5-1-15(2-6-19)9-16-4-8-23-22(11-16)28-24(32-23)20-7-3-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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n/an/an/an/a 33n/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 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50336938
PNG
(1-((4-(5-(4-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-f...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(Cl)cc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H20ClFN2O2S/c26-19-5-1-15(2-6-19)9-16-4-8-23-22(11-16)28-24(32-23)20-7-3-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
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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-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay


ACS Med Chem Lett 2: 102-106 (2011)


Article DOI: 10.1021/ml100228m
BindingDB Entry DOI: 10.7270/Q2T72HR9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%