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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'muller' and Initial = 'km'   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264220
PNG
(2-(1,6-diphenyl-1H-imidazo[4,5-c]pyridine-4-carbox...)
Show SMILES OC(=O)CNC(=O)c1nc(cc2n(cnc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N4O3/c26-18(27)12-22-21(28)20-19-17(11-16(24-20)14-7-3-1-4-8-14)25(13-23-19)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,22,28)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264219
PNG
(2-(6-chloro-1-phenyl-1H-imidazo[4,5-c]pyridine-4-c...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)cc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C15H11ClN4O3/c16-11-6-10-13(14(19-11)15(23)17-7-12(21)22)18-8-20(10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,23)(H,21,22)
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n/an/a 66n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264174
PNG
(2-(1-phenyl-1H-imidazo[4,5-c]pyridine-4-carboxamid...)
Show SMILES OC(=O)CNC(=O)c1nccc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C15H12N4O3/c20-12(21)8-17-15(22)14-13-11(6-7-16-14)19(9-18-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,22)(H,20,21)
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n/an/a 290n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264175
PNG
(2-(1-benzyl-1H-imidazo[4,5-c]pyridine-4-carboxamid...)
Show SMILES OC(=O)CNC(=O)c1nccc2n(Cc3ccccc3)cnc12
Show InChI InChI=1S/C16H14N4O3/c21-13(22)8-18-16(23)15-14-12(6-7-17-15)20(10-19-14)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22)
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n/an/a 320n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264176
PNG
(2-(1-(4-bromophenyl)-1H-imidazo[4,5-c]pyridine-4-c...)
Show SMILES OC(=O)CNC(=O)c1nccc2n(cnc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN4O3/c16-9-1-3-10(4-2-9)20-8-19-13-11(20)5-6-17-14(13)15(23)18-7-12(21)22/h1-6,8H,7H2,(H,18,23)(H,21,22)
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n/an/a 330n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264177
PNG
(2-(2-methyl-1-phenyl-1H-imidazo[4,5-c]pyridine-4-c...)
Show SMILES Cc1nc2c(nccc2n1-c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C16H14N4O3/c1-10-19-14-12(20(10)11-5-3-2-4-6-11)7-8-17-15(14)16(23)18-9-13(21)22/h2-8H,9H2,1H3,(H,18,23)(H,21,22)
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n/an/a 400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264173
PNG
(2-(1-methyl-1H-imidazo[4,5-c]pyridine-4-carboxamid...)
Show SMILES Cn1cnc2c(nccc12)C(=O)NCC(O)=O
Show InChI InChI=1S/C10H10N4O3/c1-14-5-13-8-6(14)2-3-11-9(8)10(17)12-4-7(15)16/h2-3,5H,4H2,1H3,(H,12,17)(H,15,16)
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n/an/a 570n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264223
PNG
(2-(1-phenyl-1H-benzo[d]imidazole-4-carboxamido)ace...)
Show SMILES OC(=O)CNC(=O)c1cccc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c20-14(21)9-17-16(22)12-7-4-8-13-15(12)18-10-19(13)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,22)(H,20,21)
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n/an/a 730n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264221
PNG
(2-(4-hydroxy-8-iodoisoquinoline-3-carboxamido)acet...)
Show SMILES OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O
Show InChI InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264217
PNG
(2-(1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic ...)
Show SMILES OC(=O)CNC(=O)c1nccc2nc[nH]c12
Show InChI InChI=1S/C9H8N4O3/c14-6(15)3-11-9(16)8-7-5(1-2-10-8)12-4-13-7/h1-2,4H,3H2,(H,11,16)(H,12,13)(H,14,15)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264218
PNG
(2-(1-phenyl-2-(trifluoromethyl)-1H-imidazo[4,5-c]p...)
Show SMILES OC(=O)CNC(=O)c1nccc2n(c(nc12)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C16H11F3N4O3/c17-16(18,19)15-22-12-10(23(15)9-4-2-1-3-5-9)6-7-20-13(12)14(26)21-8-11(24)25/h1-7H,8H2,(H,21,26)(H,24,25)
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n/an/a 5.54E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264222
PNG
(2-(9-phenyl-9H-purine-6-carboxamido)acetic acid | ...)
Show SMILES OC(=O)CNC(=O)c1ncnc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C14H11N5O3/c20-10(21)6-15-14(22)12-11-13(17-7-16-12)19(8-18-11)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,22)(H,20,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50264179
PNG
(2-(thieno[2,3-c]pyridine-7-carboxamido)acetic acid...)
Show SMILES OC(=O)CNC(=O)c1nccc2ccsc12
Show InChI InChI=1S/C10H8N2O3S/c13-7(14)5-12-10(15)8-9-6(1-3-11-8)2-4-16-9/h1-4H,5H2,(H,12,15)(H,13,14)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) by fluorescence energy transfer analysis


Bioorg Med Chem Lett 18: 5023-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.012
BindingDB Entry DOI: 10.7270/Q2ZS2WB7
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))
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 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 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))
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))
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))
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))
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))
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 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))
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))
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))
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))
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))
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))
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))
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 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))
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))
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))
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))
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))
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 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 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 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))
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 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 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))
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))
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
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