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Compile Data Set for Download or QSAR

Found 324 hits of ec50 data for polymerid = 2333   
Target
(Institution)
LigandTarget
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 2


(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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Article
PubMed
n/an/an/an/a 0.700n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 2.20n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioli...


Bioorg Med Chem Lett 14: 4903-6 (2004)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 2.90n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experimen...


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 8.30n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay


Bioorg Med Chem Lett 15: 3568-72 (2005)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 8.30n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experimen...


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50169455
PNG
(CHEMBL537849 | Phosphoric acid mono-{2-amino-3-hyd...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1c[nH]c(n1)C(N)(CO)COP(O)(O)=O
Show InChI InChI=1S/C20H32N3O5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-22-19(23-18)20(21,14-24)15-28-29(25,26)27/h9-13,24H,2-8,14-15,21H2,1H3,(H,22,23)(H2,25,26,27)
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n/an/an/an/a 18n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay


Bioorg Med Chem Lett 15: 3568-72 (2005)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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 44n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41669
PNG
(4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4O2S/c1-24(2)14-3-13-22-28(26,27)19-10-8-18(9-11-19)25-15-12-20(23-25)16-4-6-17(21)7-5-16/h4-11,22H,3,12-15H2,1-2H3
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n/an/an/an/a 338n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50198835
PNG
(CHEMBL226612 | [3-amino-3-(4-decylphenylcarbamoyl)...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(O)(O)=O)cc1
Show InChI InChI=1S/C20H34FN2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)23-20(24)18(22)15-19(21)28-29(25,26)27/h11-14,18-19H,2-10,15,22H2,1H3,(H,23,24)(H2,25,26,27)/t18-,19?/m1/s1
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n/an/an/an/a 490n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50198838
PNG
(CHEMBL228049 | [3-amino-4-(4-octylphenoxy)-butyl]-...)
Show SMILES CCCCCCc1ccc(OC[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C16H28NO4P/c1-2-3-4-5-6-14-7-9-16(10-8-14)21-13-15(17)11-12-22(18,19)20/h7-10,15H,2-6,11-13,17H2,1H3,(H2,18,19,20)/t15-/m1/s1
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n/an/an/an/a 530n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41698
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)Cn2cc(ccc2=O)C(F)(F)F)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C21H19F3N2O2/c1-14-10-18(15(2)26(14)11-16-6-4-3-5-7-16)19(27)13-25-12-17(21(22,23)24)8-9-20(25)28/h3-10,12H,11,13H2,1-2H3
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n/an/an/an/a 723n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41685
PNG
(4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
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n/an/an/an/a 877n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50133427
PNG
(CHEMBL324358 | Phosphoric acid mono-((S)-2-amino-2...)
Show SMILES CCCCCCCCCCCCNC(=O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C15H33N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(18)14(16)13-22-23(19,20)21/h14H,2-13,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1
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n/an/an/an/a 973n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50165372
PNG
(CHEMBL3798837)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)CC(C)C)s1
Show InChI InChI=1/C27H38N4O5S/c1-7-19-10-20(8-18(5)25(19)35-15-21(33)11-28-24(34)14-32)26-29-27(36-30-26)22-9-17(4)23(37-22)13-31(6)12-16(2)3/h8-10,16,21,32-33H,7,11-15H2,1-6H3,(H,28,34)/t21-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at S1PR2 (unknown origin)


Eur J Med Chem 116: 222-238 (2016)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41669
PNG
(4-[3-(4-chlorophenyl)-2-pyrazolin-1-yl]-N-[3-(dime...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H25ClN4O2S/c1-24(2)14-3-13-22-28(26,27)19-10-8-18(9-11-19)25-15-12-20(23-25)16-4-6-17(21)7-5-16/h4-11,22H,3,12-15H2,1-2H3
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n/an/an/an/a 1.04E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41648
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41656
PNG
(4-keto-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]qu...)
Show SMILES COc1cc2CCN3C(=O)CCC(C#N)=C3c2cc1OC
Show InChI InChI=1S/C16H16N2O3/c1-20-13-7-10-5-6-18-15(19)4-3-11(9-17)16(18)12(10)8-14(13)21-2/h7-8H,3-6H2,1-2H3
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n/an/an/an/a 1.33E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM30721
PNG
(6-chloranyl-4-phenyl-2-piperazin-1-yl-quinazoline ...)
Show SMILES Clc1ccc2nc(nc(-c3ccccc3)c2c1)N1CCNCC1
Show InChI InChI=1S/C18H17ClN4/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)22-18(21-16)23-10-8-20-9-11-23/h1-7,12,20H,8-11H2
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n/an/an/an/a 1.34E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41687
PNG
(4-chloranyl-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetr...)
Show SMILES COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3/c1-29-19-11-15-9-10-27-21(26-23(28)14-3-6-17(24)7-4-14)8-5-16(13-25)22(27)18(15)12-20(19)30-2/h3-4,6-7,11-12H,5,8-10H2,1-2H3
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n/an/an/an/a 1.61E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41687
PNG
(4-chloranyl-N-(1-cyano-9,10-dimethoxy-2,3,6,7-tetr...)
Show SMILES COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3/c1-29-19-11-15-9-10-27-21(26-23(28)14-3-6-17(24)7-4-14)8-5-16(13-25)22(27)18(15)12-20(19)30-2/h3-4,6-7,11-12H,5,8-10H2,1-2H3
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n/an/an/an/a 1.64E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41675
PNG
(2-Amino-1-benzo[1,3]dioxol-5-ylmethyl-1H-pyrrolo[2...)
Show SMILES CC(C)CCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
Show InChI InChI=1S/C24H25N5O3/c1-14(2)9-10-26-24(30)20-21-23(28-17-6-4-3-5-16(17)27-21)29(22(20)25)12-15-7-8-18-19(11-15)32-13-31-18/h3-8,11,14H,9-10,12-13,25H2,1-2H3,(H,26,30)
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n/an/an/an/a 1.69E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41661
PNG
(4-[3-(4-Chloro-phenyl)-4,5-dihydro-pyrazol-1-yl]-N...)
Show SMILES OCCN(CCO)S(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClN3O4S/c20-16-3-1-15(2-4-16)19-9-10-23(21-19)17-5-7-18(8-6-17)28(26,27)22(11-13-24)12-14-25/h1-8,24-25H,9-14H2
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n/an/an/an/a 1.95E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM30911
PNG
(7-(2-furoyloxy)-2-keto-chromene-3-carboxylic acid ...)
Show SMILES CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
Show InChI InChI=1S/C17H12O7/c1-2-21-15(18)12-8-10-5-6-11(9-14(10)24-16(12)19)23-17(20)13-4-3-7-22-13/h3-9H,2H2,1H3
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n/an/an/an/a 1.99E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50133422
PNG
(CHEMBL332472 | Phosphoric acid mono-((R)-2-amino-2...)
Show SMILES CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(O)(O)=O
Show InChI InChI=1S/C17H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15-24-25(21,22)23/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 2.11E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41683
PNG
(3-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorobenzyl)-2...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1Cl
Show InChI InChI=1S/C19H12Cl2N2OS/c20-14-8-7-12(10-15(14)21)11-23-9-3-4-13(19(23)24)18-22-16-5-1-2-6-17(16)25-18/h1-10H,11H2
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n/an/an/an/a 2.18E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41676
PNG
(2-Amino-1-thiophen-2-ylmethyl-1H-pyrrolo[2,3-b]qui...)
Show SMILES Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1
Show InChI InChI=1S/C25H23N5OS/c26-23-21(25(31)27-14-6-10-17-8-2-1-3-9-17)22-24(30(23)16-18-11-7-15-32-18)29-20-13-5-4-12-19(20)28-22/h1-5,7-9,11-13,15H,6,10,14,16,26H2,(H,27,31)
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n/an/an/an/a 2.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM1883
PNG
(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Show SMILES CCC(C)NC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H23N5O3/c1-3-13(2)25-23(29)19-20-22(27-16-7-5-4-6-15(16)26-20)28(21(19)24)11-14-8-9-17-18(10-14)31-12-30-17/h4-10,13H,3,11-12,24H2,1-2H3,(H,25,29)
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n/an/an/an/a 2.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41677
PNG
(2-Amino-1-benzo[1,3]dioxol-5-ylmethyl-1H-pyrrolo[2...)
Show SMILES CC(C)CNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H23N5O3/c1-13(2)10-25-23(29)19-20-22(27-16-6-4-3-5-15(16)26-20)28(21(19)24)11-14-7-8-17-18(9-14)31-12-30-17/h3-9,13H,10-12,24H2,1-2H3,(H,25,29)
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n/an/an/an/a 2.61E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50133418
PNG
(CHEMBL423691 | Phosphoric acid mono-((S)-2-amino-2...)
Show SMILES CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C17H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15-24-25(21,22)23/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 2.69E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41685
PNG
(4-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazoli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrFN3O2S/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)18-9-11-19(12-10-18)29(24,27)28/h1-12,21H,13H2,(H2,24,27,28)
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n/an/an/an/a 2.70E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41680
PNG
(1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
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n/an/an/an/a 2.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50133420
PNG
(CHEMBL115505 | Phosphoric acid mono-((S)-2-amino-2...)
Show SMILES CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C17H37N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-19-17(20)16(18)15-25-26(21,22)23/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 2.76E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41648
PNG
(1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
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n/an/an/an/a 2.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41681
PNG
(3-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzyl)-2(1H)...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
Show InChI InChI=1S/C19H13ClN2OS/c20-14-9-7-13(8-10-14)12-22-11-3-4-15(19(22)23)18-21-16-5-1-2-6-17(16)24-18/h1-11H,12H2
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n/an/an/an/a 2.89E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM34697
PNG
(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Show SMILES CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-3-14(2)27-20(26-22(28)15-9-5-4-6-10-15)16(13-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12,14H,3H2,1-2H3,(H,26,28)
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n/an/an/an/a 2.95E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41656
PNG
(4-keto-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]qu...)
Show SMILES COc1cc2CCN3C(=O)CCC(C#N)=C3c2cc1OC
Show InChI InChI=1S/C16H16N2O3/c1-20-13-7-10-5-6-18-15(19)4-3-11(9-17)16(18)12(10)8-14(13)21-2/h7-8H,3-6H2,1-2H3
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n/an/an/an/a 2.96E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM30891
PNG
(MLS000049147 | N-(2-furanylmethyl)-7-hydroxy-2-oxo...)
Show SMILES Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
Show InChI InChI=1S/C15H11NO5/c17-10-4-3-9-6-12(15(19)21-13(9)7-10)14(18)16-8-11-2-1-5-20-11/h1-7,17H,8H2,(H,16,18)
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n/an/an/an/a 3.28E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41683
PNG
(3-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorobenzyl)-2...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1Cl
Show InChI InChI=1S/C19H12Cl2N2OS/c20-14-8-7-12(10-15(14)21)11-23-9-3-4-13(19(23)24)18-22-16-5-1-2-6-17(16)25-18/h1-10H,11H2
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n/an/an/an/a 3.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41680
PNG
(1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4...)
Show SMILES Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
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n/an/an/an/a 3.35E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41681
PNG
(3-(1,3-benzothiazol-2-yl)-1-(4-chlorobenzyl)-2(1H)...)
Show SMILES Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
Show InChI InChI=1S/C19H13ClN2OS/c20-14-9-7-13(8-10-14)12-22-11-3-4-15(19(22)23)18-21-16-5-1-2-6-17(16)24-18/h1-11H,12H2
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n/an/an/an/a 3.43E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50356256
PNG
(CHEMBL1910687)
Show SMILES C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
Show InChI InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19-
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n/an/an/an/a 3.65E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor


Bioorg Med Chem Lett 21: 6739-45 (2011)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41672
PNG
(2-Amino-1-(3-morpholin-4-yl-propyl)-1H-pyrrolo[2,3...)
Show SMILES COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H30N6O3/c1-34-21-10-5-2-7-18(21)17-28-26(33)22-23-25(30-20-9-4-3-8-19(20)29-23)32(24(22)27)12-6-11-31-13-15-35-16-14-31/h2-5,7-10H,6,11-17,27H2,1H3,(H,28,33)
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n/an/an/an/a 3.90E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41682
PNG
(3-(1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)-2(1H)...)
Show SMILES Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
Show InChI InChI=1S/C20H16N2OS/c1-14-8-10-15(11-9-14)13-22-12-4-5-16(20(22)23)19-21-17-6-2-3-7-18(17)24-19/h2-12H,13H2,1H3
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n/an/an/an/a 4.14E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41668
PNG
(1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...)
Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)
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n/an/an/an/a 4.55E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM34697
PNG
(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Show SMILES CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-3-14(2)27-20(26-22(28)15-9-5-4-6-10-15)16(13-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12,14H,3H2,1-2H3,(H,26,28)
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n/an/an/an/a 4.60E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41657
PNG
(5-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-...)
Show SMILES CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12
Show InChI InChI=1S/C21H27N3O4/c1-6-27-21(26)20-15(4)23(5)19-8-7-17(10-18(19)20)28-12-16(25)11-24-14(3)9-13(2)22-24/h7-10,16,25H,6,11-12H2,1-5H3
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n/an/an/an/a 4.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM30661
PNG
(2-Imino-1-isopropyl-10-oxo-1,10-dihydro-2H-1,9,10a...)
Show SMILES CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
Show InChI InChI=1S/C23H23N5O2/c1-15(2)28-20(24)17(22(29)25-12-11-16-8-4-3-5-9-16)14-18-21(28)26-19-10-6-7-13-27(19)23(18)30/h3-10,13-15,24H,11-12H2,1-2H3,(H,25,29)
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n/an/an/an/a 4.81E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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>5.00E+3n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


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

More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50133428
PNG
(CHEMBL325408 | Phosphoric acid mono-((S)-2-amino-2...)
Show SMILES CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(O)(O)=O
Show InChI InChI=1S/C19H41N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(22)18(20)17-26-27(23,24)25/h18H,2-17,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)

More data for this
Ligand-Target Pair
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