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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


Citation and Details
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...


Citation and Details
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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PubMed
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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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


Citation and Details
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


Citation and Details
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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