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Compile Data Set for Download or QSAR

Found 8800 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor'   
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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 0.00500n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as cAMP accumulation after 30 mins by HTRF analysis


ACS Med Chem Lett 7: 283-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00448
BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 0.00560n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISA


ACS Med Chem Lett 7: 283-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00448
BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50169441
PNG
(CHEMBL3806205)
Show SMILES CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1
Show InChI InChI=1S/C22H36NO4P/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-27-28(24,25)26/h9-10,14,17,21H,2-8,11-13,15-16,23H2,1H3,(H2,24,25,26)/t17-,21+,22-/m1/s1
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n/an/an/an/a 0.00600n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as cAMP accumulation after 30 mins by HTRF analysis


ACS Med Chem Lett 7: 283-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00448
BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 0.00600n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419999
PNG
(CHEMBL2018323)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C)c12
Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-9-7-14(11-18(19)24)23-25-22(26-31-23)17-6-4-5-16-15(8-10-20(28)29)12-27(3)21(16)17/h4-7,9,11-13H,8,10H2,1-3H3,(H,28,29)
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n/an/an/an/a 0.00631n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420040
PNG
(CHEMBL2032300)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)ccc12
Show InChI InChI=1S/C22H20ClN3O4/c1-13(2)29-19-7-6-14(12-17(19)23)22-24-21(25-30-22)16-4-3-5-18-15(16)8-10-26(18)11-9-20(27)28/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.0100n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 0.0120n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419980
PNG
(CHEMBL2018176)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12
Show InChI InChI=1S/C22H20ClN3O4/c1-12(2)29-18-8-6-13(10-17(18)23)22-25-21(26-30-22)16-5-3-4-15-14(7-9-19(27)28)11-24-20(15)16/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,27,28)
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n/an/an/an/a 0.0126n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420110
PNG
(CHEMBL2059683)
Show SMILES CCc1c(CCNCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3O3S/c1-4-17-15(10-11-28-13-21(31)32)6-5-7-18(17)22-29-23(34-30-22)16-8-9-20(33-14(2)3)19(12-16)24(25,26)27/h5-9,12,14,28H,4,10-11,13H2,1-3H3,(H,31,32)
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n/an/an/an/a 0.0158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50314402
PNG
((R)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21-/m0/s1
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n/an/an/an/a 0.0180n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420111
PNG
(CHEMBL2059684)
Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33)
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n/an/an/an/a 0.0200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay


J Med Chem 55: 4286-96 (2012)


Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
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n/an/an/an/a 0.0210n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/an/an/a 0.0250n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420010
PNG
(CHEMBL2032301)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC(O)=O)cc(Cl)c12
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12(2)30-18-7-6-13(10-15(18)23)22-25-21(26-31-22)14-4-3-5-17-20(14)16(24)11-27(17)9-8-19(28)29/h3-7,10-12H,8-9H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.0251n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 0.0270n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063864
PNG
(CHEMBL3403619)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 0.0300n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50186936
PNG
(3-(4-(5-(3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)...)
Show SMILES CC(Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O4/c1-12-9-14(4-8-19(29)30)3-6-17(12)20-27-21(32-28-20)15-5-7-18(16(10-15)11-26)31-13(2)22(23,24)25/h3,5-7,9-10,13H,4,8H2,1-2H3,(H,29,30)
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n/an/an/an/a 0.0300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419996
PNG
(CHEMBL2018320)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(N)=O)c[nH]c12
Show InChI InChI=1S/C22H21ClN4O3/c1-12(2)29-18-8-6-13(10-17(18)23)22-26-21(27-30-22)16-5-3-4-15-14(7-9-19(24)28)11-25-20(15)16/h3-6,8,10-12,25H,7,9H2,1-2H3,(H2,24,28)
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420026
PNG
(CHEMBL2032428)
Show SMILES OC(=O)CNCCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-14-18(9-10-19(20)17-6-2-1-3-7-17)24-30-21-13-16(8-11-22(21)33-24)5-4-12-29-15-23(31)32/h1-3,6-11,13-14,29H,4-5,12,15H2,(H,31,32)
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420028
PNG
(CHEMBL2032430)
Show SMILES OC(=O)CCNCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O3/c26-25(27,28)20-15-18(7-8-19(20)17-4-2-1-3-5-17)24-30-21-14-16(6-9-22(21)33-24)10-12-29-13-11-23(31)32/h1-9,14-15,29H,10-13H2,(H,31,32)
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n/an/an/an/a 0.0316n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Macaca mulatta)
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419972
PNG
(CHEMBL2011746)
Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1cccc2n(CCC(O)=O)ccc12
Show InChI InChI=1S/C25H23F3N4O3S/c1-2-3-13-32(23(35)16-7-9-17(10-8-16)25(26,27)28)24-30-29-22(36-24)19-5-4-6-20-18(19)11-14-31(20)15-12-21(33)34/h4-11,14H,2-3,12-13,15H2,1H3,(H,33,34)
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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase r...


Bioorg Med Chem Lett 22: 2456-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.016
BindingDB Entry DOI: 10.7270/Q2571D1C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419997
PNG
(CHEMBL2018321)
Show SMILES CNC(=O)CCc1c[nH]c2c(cccc12)-c1noc(n1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H23ClN4O3/c1-13(2)30-19-9-7-14(11-18(19)24)23-27-22(28-31-23)17-6-4-5-16-15(12-26-21(16)17)8-10-20(29)25-3/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,25,29)
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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063894
PNG
(CHEMBL3403630)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO5/c1-13(2)34-19-6-3-14(9-17(19)24(26,27)28)12-33-15-4-5-18-16(10-15)22(25)23-20(11-21(30)31)32-8-7-29(18)23/h3-6,9-10,13,20H,7-8,11-12H2,1-2H3,(H,30,31)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063895
PNG
(CHEMBL3403631)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCOC(CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1S/C24H23ClN2O5/c1-14(2)32-20-6-3-15(9-16(20)12-26)13-31-17-4-5-19-18(10-17)23(25)24-21(11-22(28)29)30-8-7-27(19)24/h3-6,9-10,14,21H,7-8,11,13H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063896
PNG
(CHEMBL3403632)
Show SMILES OC(=O)CC1OCCn2c1c(Cl)c1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21
Show InChI InChI=1S/C26H25ClF3NO4/c27-24-19-12-17(6-8-21(19)31-9-10-34-22(25(24)31)13-23(32)33)35-14-15-5-7-18(16-3-1-2-4-16)20(11-15)26(28,29)30/h5-8,11-12,16,22H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063877
PNG
(CHEMBL3400909)
Show SMILES CC(C)Oc1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1C#N
Show InChI InChI=1S/C24H25N3O4/c1-14(2)31-22-6-3-15(9-16(22)12-25)13-30-17-4-5-20-19(10-17)18-7-8-26-21(11-23(28)29)24(18)27-20/h3-6,9-10,14,21,26-27H,7-8,11,13H2,1-2H3,(H,28,29)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50063864
PNG
(CHEMBL3403619)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063875
PNG
(CHEMBL3400910)
Show SMILES CC(C)Cc1ccc(COc2ccc3[nH]c4C(CC(O)=O)NCCc4c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C25H27F3N2O3/c1-14(2)9-16-4-3-15(10-20(16)25(26,27)28)13-33-17-5-6-21-19(11-17)18-7-8-29-22(12-23(31)32)24(18)30-21/h3-6,10-11,14,22,29-30H,7-9,12-13H2,1-2H3,(H,31,32)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041981
PNG
(CHEMBL3358955)
Show SMILES OC(=O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)ccc21
Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-16(5-7-21(22)17-3-1-2-4-17)15-33-20-6-8-23-19(12-20)13-24-18(14-25(31)32)9-10-30(23)24/h5-8,11-13,17-18H,1-4,9-10,14-15H2,(H,31,32)
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n/an/an/an/a 0.0410n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/an/an/a 0.0500n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
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Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50063864
PNG
(CHEMBL3403619)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419995
PNG
(CHEMBL2018319)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCCCC(O)=O)c[nH]c12
Show InChI InChI=1S/C24H24ClN3O4/c1-14(2)31-20-11-10-15(12-19(20)25)24-27-23(28-32-24)18-8-5-7-17-16(13-26-22(17)18)6-3-4-9-21(29)30/h5,7-8,10-14,26H,3-4,6,9H2,1-2H3,(H,29,30)
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n/an/an/an/a 0.0501n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Macaca mulatta)
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
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n/an/an/an/a 0.0580n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50063864
PNG
(CHEMBL3403619)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 0.0600n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Bioorg Med Chem Lett 25: 659-63 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 0.0620n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
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n/an/an/an/a 0.0640n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041980
PNG
(CHEMBL3359519)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C24H24F3NO4/c1-14(2)32-22-6-3-15(9-19(22)24(25,26)27)13-31-18-4-5-20-17(10-18)11-21-16(12-23(29)30)7-8-28(20)21/h3-6,9-11,14,16H,7-8,12-13H2,1-2H3,(H,29,30)
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n/an/an/an/a 0.0670n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50186918
PNG
(3-(4-(5-(4-(S)-sec-butoxy-3-cyanophenyl)-1,2,4-oxa...)
Show SMILES CC[C@H](C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O4/c1-4-15(3)29-20-9-7-17(12-18(20)13-24)23-25-22(26-30-23)19-8-5-16(11-14(19)2)6-10-21(27)28/h5,7-9,11-12,15H,4,6,10H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake


Bioorg Med Chem Lett 16: 3679-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.084
BindingDB Entry DOI: 10.7270/Q2J67GJ8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
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n/an/an/an/a 0.0700n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay


ACS Med Chem Lett 7: 283-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00448
BindingDB Entry DOI: 10.7270/Q2D79D95
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1S/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/an/an/a 0.0720n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1334-9 (2014)


Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041703
PNG
(CHEMBL3358912)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)
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n/an/an/an/a 0.0730n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50314401
PNG
(2-amino-3-hydroxy-2-((R)-6-octyl-1,2,3,4-tetrahydr...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO5P/c1-2-3-4-5-6-7-8-17-9-10-19-14-20(12-11-18(19)13-17)21(22,15-23)16-27-28(24,25)26/h9-10,13,20,23H,2-8,11-12,14-16,22H2,1H3,(H2,24,25,26)/t20-,21?/m1/s1
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n/an/an/an/a 0.0770n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50041704
PNG
(CHEMBL3358911)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1S/C27H28F3NO3/c28-27(29,30)23-12-16(6-9-20(23)17-4-2-1-3-5-17)15-34-19-8-11-24-22(14-19)21-10-7-18(13-25(32)33)26(21)31-24/h6,8-9,11-12,14,17-18,31H,1-5,7,10,13,15H2,(H,32,33)
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n/an/an/an/a 0.0770n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50419998
PNG
(CHEMBL2018322)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCc3nnn[nH]3)c[nH]c12
Show InChI InChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30)
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n/an/an/an/a 0.0794n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor by Tango assay


Bioorg Med Chem Lett 22: 2794-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.083
BindingDB Entry DOI: 10.7270/Q29G5P3R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50420032
PNG
(CHEMBL2032434)
Show SMILES OC(=O)CCN1CCC(CC1)c1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N2O3/c29-28(30,31)23-16-21(6-8-22(23)19-4-2-1-3-5-19)27-32-24-17-20(7-9-25(24)36-27)18-10-13-33(14-11-18)15-12-26(34)35/h1-9,16-18H,10-15H2,(H,34,35)
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n/an/an/an/a 0.0794n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at SIP1 receptor by tango assay


Bioorg Med Chem Lett 22: 3973-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.095
BindingDB Entry DOI: 10.7270/Q29P32NS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


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



Arena Pharmaceuticals

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM22223
PNG
(3-(4-{5-[3-cyano-4-(propan-2-yloxy)phenyl]-1,2,4-o...)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
Show InChI InChI=1S/C22H21N3O4/c1-13(2)28-19-8-6-16(11-17(19)12-23)22-24-21(25-29-22)18-7-4-15(10-14(18)3)5-9-20(26)27/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,26,27)
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n/an/an/an/a 0.0800n/an/a7.422



Merck Research Laboratories



Assay Description
EC50s were determined by measuring the binding of [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membr...


Bioorg Med Chem Lett 17: 828-31 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q22N50JV
More data for this
Ligand-Target Pair
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