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PubMed code 20446681

Compile data set for download or QSAR
Found 158 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-Phosphate Receptor 4


(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/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P5 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P3 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/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)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316707
PNG
(CHEMBL1097182 | rac-(Z,Z)-5-[4-(2,3-Dihydroxy-prop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c1-15(2)23-22-24(17-6-4-3-5-7-17)21(27)20(29-22)12-16-8-10-19(11-9-16)28-14-18(26)13-25/h3-12,15,18,25-26H,13-14H2,1-2H3/b20-12-,23-22-
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n/an/an/an/a 240n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316709
PNG
((Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)22-21-23(17-6-4-3-5-7-17)20(25)19(27-21)14-16-8-10-18(11-9-16)26-13-12-24/h3-11,14-15,24H,12-13H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 114n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316710
PNG
((Z,Z)-5-[4-(3-Hydroxy-propyl)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-16(2)23-22-24(19-8-4-3-5-9-19)21(26)20(27-22)15-18-12-10-17(11-13-18)7-6-14-25/h3-5,8-13,15-16,25H,6-7,14H2,1-2H3/b20-15-,23-22-
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n/an/an/an/a 54n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316719
PNG
((Z,Z)-2-Isopropylimino-5-(3-methoxy-benzylidene)-3...)
Show SMILES COc1cccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-9-5-4-6-10-16)19(23)18(25-20)13-15-8-7-11-17(12-15)24-3/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 35n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316722
PNG
((Z,Z)-5-(3,4-Dimethoxy-benzylidene)-2-isopropylimi...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C21H22N2O3S/c1-14(2)22-21-23(16-8-6-5-7-9-16)20(24)19(27-21)13-15-10-11-17(25-3)18(12-15)26-4/h5-14H,1-4H3/b19-13-,22-21-
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n/an/an/an/a 1.39E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316736
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(15-6-4-5-7-17(15)26-3)19(25)18(27-20)11-13-8-9-16(24)14(21)10-13/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 428n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316737
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-11(2)23-20-24(14-6-4-12(3)15(21)10-14)19(26)18(27-20)9-13-5-7-17(25)16(22)8-13/h4-11,25H,1-3H3/b18-9-,23-20-
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n/an/an/an/a 144n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316741
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2-ethy...)
Show SMILES CCc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C21H21ClN2O2S/c1-4-15-7-5-6-8-17(15)24-20(26)19(27-21(24)23-13(2)3)12-14-9-10-18(25)16(22)11-14/h5-13,25H,4H2,1-3H3/b19-12-,23-21-
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n/an/an/an/a 335n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316742
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)cc1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(17-7-5-13(3)9-14(17)4)20(26)19(27-21)11-15-6-8-18(25)16(22)10-15/h5-12,25H,1-4H3/b19-11-,23-21-
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n/an/an/an/a 458n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316743
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,3-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(C)c1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(17-7-5-6-13(3)14(17)4)20(26)19(27-21)11-15-8-9-18(25)16(22)10-15/h5-12,25H,1-4H3/b19-11-,23-21-
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n/an/an/an/a 350n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316752
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-hexyl-2...)
Show SMILES CCCCCCN1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C19H25ClN2O2S/c1-4-5-6-7-10-22-18(24)17(25-19(22)21-13(2)3)12-14-8-9-16(23)15(20)11-14/h8-9,11-13,23H,4-7,10H2,1-3H3/b17-12-,21-19-
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n/an/an/an/a 118n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316754
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclohe...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H21ClN2O2S/c23-18-13-15(11-12-19(18)26)14-20-21(27)25(17-9-5-2-6-10-17)22(28-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16,26H,1,3-4,7-8H2/b20-14-,24-22-
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n/an/an/an/a 310n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316755
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclope...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
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n/an/an/an/a 302n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316761
PNG
((Z,Z)-2-Butylimino-5-(3-chloro-4-hydroxy-benzylide...)
Show SMILES CCCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-2-3-11-22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)13-14-9-10-17(24)16(21)12-14/h4-10,12-13,24H,2-3,11H2,1H3/b18-13-,22-20-
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n/an/an/an/a 264n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316771
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propyli...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-
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n/an/an/an/a 19n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 59n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P5 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316734
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1ccc(cc1)N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(14-5-7-15(26-3)8-6-14)19(25)18(27-20)11-13-4-9-17(24)16(21)10-13/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 251n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(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 0.200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P5 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
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 0.100n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316715
PNG
((Z,Z)-2-Isopropylimino-5-(2-methyl-benzylidene)-3-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2C)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2OS/c1-14(2)21-20-22(17-11-5-4-6-12-17)19(23)18(24-20)13-16-10-8-7-9-15(16)3/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 5.79E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316717
PNG
((Z,Z)-5-(3-Hydroxy-4-methoxy-benzylidene)-2-isopro...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-17(25-3)16(23)11-14/h4-13,23H,1-3H3/b18-12-,21-20-
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n/an/an/an/a 212n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316724
PNG
((Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopro...)
Show SMILES COc1cc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-
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n/an/an/an/a 335n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316728
PNG
((Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thia...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2OS/c1-14(2)20-19-21(16-11-7-4-8-12-16)18(22)17(23-19)13-15-9-5-3-6-10-15/h3-14H,1-2H3/b17-13-,20-19-
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n/an/an/an/a 317n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316732
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1
Show InChI InChI=1S/C18H16ClN3O2S/c1-11(2)21-18-22(13-4-3-7-20-10-13)17(24)16(25-18)9-12-5-6-15(23)14(19)8-12/h3-11,23H,1-2H3/b16-9-,21-18-
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n/an/an/an/a 228n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316733
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...)
Show SMILES COc1ccc(N2\C(S\C(=C/c3ccc(O)c(Cl)c3)C2=O)=N\C(C)C)c(OC)c1
Show InChI InChI=1S/C21H21ClN2O4S/c1-12(2)23-21-24(16-7-6-14(27-3)11-18(16)28-4)20(26)19(29-21)10-13-5-8-17(25)15(22)9-13/h5-12,25H,1-4H3/b19-10-,23-21-
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n/an/an/an/a 525n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316734
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1ccc(cc1)N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(14-5-7-15(26-3)8-6-14)19(25)18(27-20)11-13-4-9-17(24)16(21)10-13/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 127n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316758
PNG
((Z,Z)-2-tert-Butylimino-5-(3-chloro-4-hydroxy-benz...)
Show SMILES CC(C)(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-20(2,3)22-19-23(14-7-5-4-6-8-14)18(25)17(26-19)12-13-9-10-16(24)15(21)11-13/h4-12,24H,1-3H3/b17-12-,22-19-
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n/an/an/an/a 96n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316763
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-ethylim...)
Show SMILES CC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-
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n/an/an/an/a 1.23E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316768
PNG
((Z,Z)-5-[3-Chloro-4-((2S)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
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n/an/an/an/a 109n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316723
PNG
((Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-7-5-4-6-8-16)19(23)18(25-20)13-15-9-11-17(24-3)12-10-15/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 201n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316726
PNG
((Z,Z)-5-(3-Fluoro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(F)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17FN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h3-12,23H,1-2H3/b17-11-,21-19-
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n/an/an/an/a 225n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316728
PNG
((Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thia...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2OS/c1-14(2)20-19-21(16-11-7-4-8-12-16)18(22)17(23-19)13-15-9-5-3-6-10-15/h3-14H,1-2H3/b17-13-,20-19-
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n/an/an/an/a 1.24E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316736
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(15-6-4-5-7-17(15)26-3)19(25)18(27-20)11-13-8-9-16(24)14(21)10-13/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 106n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316742
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)cc1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(17-7-5-13(3)9-14(17)4)20(26)19(27-21)11-15-6-8-18(25)16(22)10-15/h5-12,25H,1-4H3/b19-11-,23-21-
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n/an/an/an/a 179n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316760
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h3-12,23H,1-2H3/b17-11-,21-19-
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n/an/an/an/a 47n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316761
PNG
((Z,Z)-2-Butylimino-5-(3-chloro-4-hydroxy-benzylide...)
Show SMILES CCCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-2-3-11-22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)13-14-9-10-17(24)16(21)12-14/h4-10,12-13,24H,2-3,11H2,1H3/b18-13-,22-20-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316764
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-methyli...)
Show SMILES C\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-
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n/an/an/an/a 990n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316768
PNG
((Z,Z)-5-[3-Chloro-4-((2S)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
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n/an/an/an/a 174n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316720
PNG
((Z,Z)-5-(4-Bromo-benzylidene)-2-isopropylimino-3-p...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-
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n/an/an/an/a 136n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316721
PNG
((Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropyli...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(cc2)N(C)C)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H23N3OS/c1-15(2)22-21-24(18-8-6-5-7-9-18)20(25)19(26-21)14-16-10-12-17(13-11-16)23(3)4/h5-15H,1-4H3/b19-14-,22-21-
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n/an/an/an/a 165n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316730
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C21H21ClN2O2S/c1-14(2)23-21-24(11-10-15-6-4-3-5-7-15)20(26)19(27-21)13-16-8-9-18(25)17(22)12-16/h3-9,12-14,25H,10-11H2,1-2H3/b19-13-,23-21-
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n/an/an/an/a 183n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316731
PNG
((Z,Z)-3-Benzyl-5-(3-chloro-4-hydroxy-benzylidene)-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-13(2)22-20-23(12-14-6-4-3-5-7-14)19(25)18(26-20)11-15-8-9-17(24)16(21)10-15/h3-11,13,24H,12H2,1-2H3/b18-11-,22-20-
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n/an/an/an/a 674n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316735
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1cccc(c1)N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(14-5-4-6-15(11-14)26-3)19(25)18(27-20)10-13-7-8-17(24)16(21)9-13/h4-12,24H,1-3H3/b18-10-,22-20-
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n/an/an/an/a 514n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316739
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(14-5-3-4-13(20)10-14)18(25)17(26-19)9-12-6-7-16(24)15(21)8-12/h3-11,24H,1-2H3/b17-9-,22-19-
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n/an/an/an/a 129n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316740
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(15-6-4-3-5-13(15)20)18(25)17(26-19)10-12-7-8-16(24)14(21)9-12/h3-11,24H,1-2H3/b17-10-,22-19-
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n/an/an/an/a 425n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316747
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(16-7-5-4-6-13(16)3)19(25)18(26-20)11-14-8-9-17(24)15(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 139n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316773
PNG
((Z,Z)-5-[3-(2-Hydroxy-ethoxy)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2cccc(OCCO)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)22-21-23(17-8-4-3-5-9-17)20(25)19(27-21)14-16-7-6-10-18(13-16)26-12-11-24/h3-10,13-15,24H,11-12H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 1.41E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316719
PNG
((Z,Z)-2-Isopropylimino-5-(3-methoxy-benzylidene)-3...)
Show SMILES COc1cccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)c1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-9-5-4-6-10-16)19(23)18(25-20)13-15-8-7-11-17(12-15)24-3/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 185n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316722
PNG
((Z,Z)-5-(3,4-Dimethoxy-benzylidene)-2-isopropylimi...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C21H22N2O3S/c1-14(2)22-21-23(16-8-6-5-7-9-16)20(24)19(27-21)13-15-10-11-17(25-3)18(12-15)26-4/h5-14H,1-4H3/b19-13-,22-21-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316727
PNG
((Z,Z)-5-(4-Hydroxy-benzylidene)-2-isopropylimino-3...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-6-4-3-5-7-15)18(23)17(24-19)12-14-8-10-16(22)11-9-14/h3-13,22H,1-2H3/b17-12-,20-19-
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n/an/an/an/a 122n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316735
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES COc1cccc(c1)N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C20H19ClN2O3S/c1-12(2)22-20-23(14-5-4-6-15(11-14)26-3)19(25)18(27-20)10-13-7-8-17(24)16(21)9-13/h4-12,24H,1-3H3/b18-10-,22-20-
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n/an/an/an/a 259n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316750
PNG
((Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isop...)
Show SMILES CCOC(=O)CCN1C(=O)\C(S\C1=N/C(C)C)=C\c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C18H21ClN2O4S/c1-4-25-16(23)7-8-21-17(24)15(26-18(21)20-11(2)3)10-12-5-6-14(22)13(19)9-12/h5-6,9-11,22H,4,7-8H2,1-3H3/b15-10-,20-18-
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n/an/an/an/a 479n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316756
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclobu...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C20H17ClN2O2S/c21-16-11-13(9-10-17(16)24)12-18-19(25)23(15-7-2-1-3-8-15)20(26-18)22-14-5-4-6-14/h1-3,7-12,14,24H,4-6H2/b18-12-,22-20-
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n/an/an/an/a 202n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 9.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
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 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)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316708
PNG
((Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15-,23-22-
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n/an/an/an/a 68n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316712
PNG
((Z,Z)-5-(4-Hydroxymethyl-benzylidene)-2-isopropyli...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(17-6-4-3-5-7-17)19(24)18(25-20)12-15-8-10-16(13-23)11-9-15/h3-12,14,23H,13H2,1-2H3/b18-12-,21-20-
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n/an/an/an/a 86n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316760
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h3-12,23H,1-2H3/b17-11-,21-19-
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n/an/an/an/a 120n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316765
PNG
((Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-imino-3-p...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C16H11ClN2O2S/c17-12-8-10(6-7-13(12)20)9-14-15(21)19(16(18)22-14)11-4-2-1-3-5-11/h1-9,18,20H/b14-9-,18-16?
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316770
PNG
((Z,Z)-5-[3-Chloro-4-(2-hydroxy-ethoxy)-benzylidene...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C22H23ClN2O3S/c1-3-10-24-22-25(18-7-5-4-6-15(18)2)21(27)20(29-22)14-16-8-9-19(17(23)13-16)28-12-11-26/h4-9,13-14,26H,3,10-12H2,1-2H3/b20-14-,24-22-
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n/an/an/an/a 11n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316710
PNG
((Z,Z)-5-[4-(3-Hydroxy-propyl)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-16(2)23-22-24(19-8-4-3-5-9-19)21(26)20(27-22)15-18-12-10-17(11-13-18)7-6-14-25/h3-5,8-13,15-16,25H,6-7,14H2,1-2H3/b20-15-,23-22-
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n/an/an/an/a 98n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316712
PNG
((Z,Z)-5-(4-Hydroxymethyl-benzylidene)-2-isopropyli...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(17-6-4-3-5-7-17)19(24)18(25-20)12-15-8-10-16(13-23)11-9-15/h3-12,14,23H,13H2,1-2H3/b18-12-,21-20-
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n/an/an/an/a 408n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 105n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 1.11E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P4 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(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 164n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P4 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316770
PNG
((Z,Z)-5-[3-Chloro-4-(2-hydroxy-ethoxy)-benzylidene...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C22H23ClN2O3S/c1-3-10-24-22-25(18-7-5-4-6-15(18)2)21(27)20(29-22)14-16-8-9-19(17(23)13-16)28-12-11-26/h4-9,13-14,26H,3,10-12H2,1-2H3/b20-14-,24-22-
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n/an/an/an/a 124n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316772
PNG
((Z,Z)-5-[4-(3-Dimethylamino-propoxy)-benzylidene]-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C24H29N3O2S/c1-18(2)25-24-27(20-9-6-5-7-10-20)23(28)22(30-24)17-19-11-13-21(14-12-19)29-16-8-15-26(3)4/h5-7,9-14,17-18H,8,15-16H2,1-4H3/b22-17-,25-24-
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n/an/an/an/a 114n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316720
PNG
((Z,Z)-5-(4-Bromo-benzylidene)-2-isopropylimino-3-p...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-
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n/an/an/an/a 1.04E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316737
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-11(2)23-20-24(14-6-4-12(3)15(21)10-14)19(26)18(27-20)9-13-5-7-17(25)16(22)8-13/h4-11,25H,1-3H3/b18-9-,23-20-
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n/an/an/an/a 47n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316749
PNG
((Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCC(O)=O
Show InChI InChI=1S/C16H17ClN2O4S/c1-9(2)18-16-19(6-5-14(21)22)15(23)13(24-16)8-10-3-4-12(20)11(17)7-10/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)/b13-8-,18-16-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316752
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-hexyl-2...)
Show SMILES CCCCCCN1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C19H25ClN2O2S/c1-4-5-6-7-10-22-18(24)17(25-19(22)21-13(2)3)12-14-8-9-16(23)15(20)11-14/h8-9,11-13,23H,4-7,10H2,1-3H3/b17-12-,21-19-
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n/an/an/an/a 282n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316754
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclohe...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H21ClN2O2S/c23-18-13-15(11-12-19(18)26)14-20-21(27)25(17-9-5-2-6-10-17)22(28-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16,26H,1,3-4,7-8H2/b20-14-,24-22-
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n/an/an/an/a 584n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316757
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclopr...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C19H15ClN2O2S/c20-15-10-12(6-9-16(15)23)11-17-18(24)22(14-4-2-1-3-5-14)19(25-17)21-13-7-8-13/h1-6,9-11,13,23H,7-8H2/b17-11-,21-19-
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n/an/an/an/a 103n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316766
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-(dimeth...)
Show SMILES CN(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2S/c1-21(2)20-18-22(13-6-4-3-5-7-13)17(24)16(25-18)11-12-8-9-15(23)14(19)10-12/h3-11,23H,1-2H3/b16-11-,20-18-
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n/an/an/an/a 62n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316768
PNG
((Z,Z)-5-[3-Chloro-4-((2S)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
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 25n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316713
PNG
((Z,Z)-2-Isopropylimino-5-(2-methoxy-benzylidene)-3...)
Show SMILES COc1ccccc1\C=C1/S\C(=N/C(C)C)N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-10-5-4-6-11-16)19(23)18(25-20)13-15-9-7-8-12-17(15)24-3/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 6.69E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316726
PNG
((Z,Z)-5-(3-Fluoro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(F)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17FN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h3-12,23H,1-2H3/b17-11-,21-19-
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n/an/an/an/a 99n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316745
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)cc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(15-7-4-13(3)5-8-15)19(25)18(26-20)11-14-6-9-17(24)16(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 88n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316749
PNG
((Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCC(O)=O
Show InChI InChI=1S/C16H17ClN2O4S/c1-9(2)18-16-19(6-5-14(21)22)15(23)13(24-16)8-10-3-4-12(20)11(17)7-10/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,22)/b13-8-,18-16-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316750
PNG
((Z,Z)-3-[5-(3-Chloro-4-hydroxy-benzylidene)-2-isop...)
Show SMILES CCOC(=O)CCN1C(=O)\C(S\C1=N/C(C)C)=C\c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C18H21ClN2O4S/c1-4-25-16(23)7-8-21-17(24)15(26-18(21)20-11(2)3)10-12-5-6-14(22)13(19)9-12/h5-6,9-11,22H,4,7-8H2,1-3H3/b15-10-,20-18-
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n/an/an/an/a 125n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316759
PNG
(CHEMBL1098447 | rac-(Z,Z)-2-sec-Butylimino-5-(3-ch...)
Show SMILES CCC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-3-13(2)22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)12-14-9-10-17(24)16(21)11-14/h4-13,24H,3H2,1-2H3/b18-12-,22-20-
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n/an/an/an/a 59n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316764
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-methyli...)
Show SMILES C\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-
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n/an/an/an/a 8.81E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316766
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-(dimeth...)
Show SMILES CN(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2S/c1-21(2)20-18-22(13-6-4-3-5-7-13)17(24)16(25-18)11-12-8-9-15(23)14(19)10-12/h3-11,23H,1-2H3/b16-11-,20-18-
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n/an/an/an/a 140n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316774
PNG
((Z,Z)-5-[4-(2-Hydroxy-1-hydroxymethyl-ethoxy)-benz...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c1-15(2)23-22-24(17-6-4-3-5-7-17)21(27)20(29-22)12-16-8-10-18(11-9-16)28-19(13-25)14-26/h3-12,15,19,25-26H,13-14H2,1-2H3/b20-12-,23-22-
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n/an/an/an/a 8.63E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316774
PNG
((Z,Z)-5-[4-(2-Hydroxy-1-hydroxymethyl-ethoxy)-benz...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c1-15(2)23-22-24(17-6-4-3-5-7-17)21(27)20(29-22)12-16-8-10-18(11-9-16)28-19(13-25)14-26/h3-12,15,19,25-26H,13-14H2,1-2H3/b20-12-,23-22-
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n/an/an/an/a 1.43E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316729
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1
Show InChI InChI=1S/C23H25ClN2O2S/c1-16(2)25-23-26(13-7-6-10-17-8-4-3-5-9-17)22(28)21(29-23)15-18-11-12-20(27)19(24)14-18/h3-5,8-9,11-12,14-16,27H,6-7,10,13H2,1-2H3/b21-15-,25-23-
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n/an/an/an/a 1.82E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316731
PNG
((Z,Z)-3-Benzyl-5-(3-chloro-4-hydroxy-benzylidene)-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-13(2)22-20-23(12-14-6-4-3-5-7-14)19(25)18(26-20)11-15-8-9-17(24)16(21)10-15/h3-11,13,24H,12H2,1-2H3/b18-11-,22-20-
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n/an/an/an/a 630n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316746
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(C)c1
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(15-6-4-5-13(3)9-15)19(25)18(26-20)11-14-7-8-17(24)16(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 110n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316751
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-cyclohe...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1
Show InChI InChI=1S/C19H23ClN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h8-12,14,23H,3-7H2,1-2H3/b17-11-,21-19-
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n/an/an/an/a 10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316753
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C(C)C
Show InChI InChI=1S/C16H19ClN2O2S/c1-9(2)18-16-19(10(3)4)15(21)14(22-16)8-11-5-6-13(20)12(17)7-11/h5-10,20H,1-4H3/b14-8-,18-16-
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n/an/an/an/a 58n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316758
PNG
((Z,Z)-2-tert-Butylimino-5-(3-chloro-4-hydroxy-benz...)
Show SMILES CC(C)(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-20(2,3)22-19-23(14-7-5-4-6-8-14)18(25)17(26-19)12-13-9-10-16(24)15(21)11-13/h4-12,24H,1-3H3/b17-12-,22-19-
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n/an/an/an/a 147n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316762
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-phenyl-...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-2-10-21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)12-13-8-9-16(23)15(20)11-13/h3-9,11-12,23H,2,10H2,1H3/b17-12-,21-19-
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n/an/an/an/a 67n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316763
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-ethylim...)
Show SMILES CC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-20-18-21(13-6-4-3-5-7-13)17(23)16(24-18)11-12-8-9-15(22)14(19)10-12/h3-11,22H,2H2,1H3/b16-11-,20-18-
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n/an/an/an/a 186n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316765
PNG
((Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-imino-3-p...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C16H11ClN2O2S/c17-12-8-10(6-7-13(12)20)9-14-15(21)19(16(18)22-14)11-4-2-1-3-5-11/h1-9,18,20H/b14-9-,18-16?
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316767
PNG
((2Z,5Z)-2-(2,2-dimethylhydrazono)-5-(4-hydroxy-3-m...)
Show SMILES COc1cc(\C=C2/S\C(=N/N(C)C)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-
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n/an/an/an/a 200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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 0.200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P3 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316714
PNG
((Z,Z)-5-(2-Chloro-benzylidene)-2-isopropylimino-3-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2OS/c1-13(2)21-19-22(15-9-4-3-5-10-15)18(23)17(24-19)12-14-8-6-7-11-16(14)20/h3-13H,1-2H3/b17-12-,21-19-
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n/an/an/an/a 2.58E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316716
PNG
((Z,Z)-5-(3,4-Dihydroxy-benzylidene)-2-isopropylimi...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O3S/c1-12(2)20-19-21(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-15(22)16(23)10-13/h3-12,22-23H,1-2H3/b17-11-,20-19-
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n/an/an/an/a>1.00E+4n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316744
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,6-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1c(C)cccc1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(19-13(3)6-5-7-14(19)4)20(26)18(27-21)11-15-8-9-17(25)16(22)10-15/h5-12,25H,1-4H3/b18-11-,23-21-
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n/an/an/an/a 307n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316751
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-cyclohe...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1
Show InChI InChI=1S/C19H23ClN2O2S/c1-12(2)21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-16(23)15(20)10-13/h8-12,14,23H,3-7H2,1-2H3/b17-11-,21-19-
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n/an/an/an/a 18n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316757
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclopr...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C19H15ClN2O2S/c20-15-10-12(6-9-16(15)23)11-17-18(24)22(14-4-2-1-3-5-14)19(25-17)21-13-7-8-13/h1-6,9-11,13,23H,7-8H2/b17-11-,21-19-
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n/an/an/an/a 114n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316768
PNG
((Z,Z)-5-[3-Chloro-4-((2S)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
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n/an/an/an/a 9.70n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316707
PNG
(CHEMBL1097182 | rac-(Z,Z)-5-[4-(2,3-Dihydroxy-prop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c1-15(2)23-22-24(17-6-4-3-5-7-17)21(27)20(29-22)12-16-8-10-19(11-9-16)28-14-18(26)13-25/h3-12,15,18,25-26H,13-14H2,1-2H3/b20-12-,23-22-
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n/an/an/an/a 143n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316708
PNG
((Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-16(2)23-22-24(18-7-4-3-5-8-18)21(26)20(28-22)15-17-9-11-19(12-10-17)27-14-6-13-25/h3-5,7-12,15-16,25H,6,13-14H2,1-2H3/b20-15-,23-22-
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n/an/an/an/a 58n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316711
PNG
((Z,Z)-5-[4-(2-Hydroxy-ethyl)-benzylidene]-2-isopro...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O2S/c1-15(2)22-21-23(18-6-4-3-5-7-18)20(25)19(26-21)14-17-10-8-16(9-11-17)12-13-24/h3-11,14-15,24H,12-13H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 102n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/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)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316771
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-propyli...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C20H19ClN2O2S/c1-3-10-22-20-23(16-7-5-4-6-13(16)2)19(25)18(26-20)12-14-8-9-17(24)15(21)11-14/h4-9,11-12,24H,3,10H2,1-2H3/b18-12-,22-20-
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n/an/an/an/a 81n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316773
PNG
((Z,Z)-5-[3-(2-Hydroxy-ethoxy)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2cccc(OCCO)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)22-21-23(17-8-4-3-5-9-17)20(25)19(27-21)14-16-7-6-10-18(13-16)26-12-11-24/h3-10,13-15,24H,11-12H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 531n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316713
PNG
((Z,Z)-2-Isopropylimino-5-(2-methoxy-benzylidene)-3...)
Show SMILES COc1ccccc1\C=C1/S\C(=N/C(C)C)N(C1=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-10-5-4-6-11-16)19(23)18(25-20)13-15-9-7-8-12-17(15)24-3/h4-14H,1-3H3/b18-13-,21-20-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316714
PNG
((Z,Z)-5-(2-Chloro-benzylidene)-2-isopropylimino-3-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2OS/c1-13(2)21-19-22(15-9-4-3-5-10-15)18(23)17(24-19)12-14-8-6-7-11-16(14)20/h3-13H,1-2H3/b17-12-,21-19-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316716
PNG
((Z,Z)-5-(3,4-Dihydroxy-benzylidene)-2-isopropylimi...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O3S/c1-12(2)20-19-21(14-6-4-3-5-7-14)18(24)17(25-19)11-13-8-9-15(22)16(23)10-13/h3-12,22-23H,1-2H3/b17-11-,20-19-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316718
PNG
((Z,Z)-5-(3-Hydroxy-benzylidene)-2-isopropylimino-3...)
Show SMILES CC(C)\N=C1/S\C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-8-4-3-5-9-15)18(23)17(24-19)12-14-7-6-10-16(22)11-14/h3-13,22H,1-2H3/b17-12-,20-19-
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n/an/an/an/a 752n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316740
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(15-6-4-3-5-13(15)20)18(25)17(26-19)10-12-7-8-16(24)14(21)9-12/h3-11,24H,1-2H3/b17-10-,22-19-
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n/an/an/an/a 54n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316744
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,6-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1c(C)cccc1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(19-13(3)6-5-7-14(19)4)20(26)18(27-21)11-15-8-9-17(25)16(22)10-15/h5-12,25H,1-4H3/b18-11-,23-21-
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n/an/an/an/a 154n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316747
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(16-7-5-4-6-13(16)3)19(25)18(26-20)11-14-8-9-17(24)15(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 34n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316759
PNG
(CHEMBL1098447 | rac-(Z,Z)-2-sec-Butylimino-5-(3-ch...)
Show SMILES CCC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-3-13(2)22-20-23(15-7-5-4-6-8-15)19(25)18(26-20)12-14-9-10-17(24)16(21)11-14/h4-13,24H,3H2,1-2H3/b18-12-,22-20-
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n/an/an/an/a 102n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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 0.700n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in HEK cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
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)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316711
PNG
((Z,Z)-5-[4-(2-Hydroxy-ethyl)-benzylidene]-2-isopro...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(CCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O2S/c1-15(2)22-21-23(18-6-4-3-5-7-18)20(25)19(26-21)14-17-10-8-16(9-11-17)12-13-24/h3-11,14-15,24H,12-13H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 59n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316718
PNG
((Z,Z)-5-(3-Hydroxy-benzylidene)-2-isopropylimino-3...)
Show SMILES CC(C)\N=C1/S\C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-8-4-3-5-9-15)18(23)17(24-19)12-14-7-6-10-16(22)11-14/h3-13,22H,1-2H3/b17-12-,20-19-
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n/an/an/an/a 103n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316723
PNG
((Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-7-5-4-6-8-16)19(23)18(25-20)13-15-9-11-17(24-3)12-10-15/h4-14H,1-3H3/b18-13-,21-20-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316725
PNG
((Z,Z)-5-(4-Hydroxy-3-methyl-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-
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Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316738
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1C
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-11(2)23-20-24(16-6-4-5-14(21)12(16)3)19(26)18(27-20)10-13-7-8-17(25)15(22)9-13/h4-11,25H,1-3H3/b18-10-,23-20-
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n/an/an/an/a 246n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316746
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(C)c1
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(15-6-4-5-13(3)9-15)19(25)18(26-20)11-14-7-8-17(24)16(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316753
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C(C)C
Show InChI InChI=1S/C16H19ClN2O2S/c1-9(2)18-16-19(10(3)4)15(21)14(22-16)8-11-5-6-13(20)12(17)7-11/h5-10,20H,1-4H3/b14-8-,18-16-
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n/an/an/an/a 162n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316767
PNG
((2Z,5Z)-2-(2,2-dimethylhydrazono)-5-(4-hydroxy-3-m...)
Show SMILES COc1cc(\C=C2/S\C(=N/N(C)C)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-
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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 human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316772
PNG
((Z,Z)-5-[4-(3-Dimethylamino-propoxy)-benzylidene]-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C24H29N3O2S/c1-18(2)25-24-27(20-9-6-5-7-10-20)23(28)22(30-24)17-19-11-13-21(14-12-19)29-16-8-15-26(3)4/h5-7,9-14,17-18H,8,15-16H2,1-4H3/b22-17-,25-24-
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n/an/an/an/a 343n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316709
PNG
((Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopr...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(OCCO)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)22-21-23(17-6-4-3-5-7-17)20(25)19(27-21)14-16-8-10-18(11-9-16)26-13-12-24/h3-11,14-15,24H,12-13H2,1-2H3/b19-14-,22-21-
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n/an/an/an/a 95n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(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 121n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P5 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316715
PNG
((Z,Z)-2-Isopropylimino-5-(2-methyl-benzylidene)-3-...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccccc2C)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2OS/c1-14(2)21-20-22(17-11-5-4-6-12-17)19(23)18(24-20)13-16-10-8-7-9-15(16)3/h4-14H,1-3H3/b18-13-,21-20-
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n/an/an/an/a 6.45E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316725
PNG
((Z,Z)-5-(4-Hydroxy-3-methyl-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-
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n/an/an/an/a 37n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316730
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C21H21ClN2O2S/c1-14(2)23-21-24(11-10-15-6-4-3-5-7-15)20(26)19(27-21)13-16-8-9-18(25)17(22)12-16/h3-9,12-14,25H,10-11H2,1-2H3/b19-13-,23-21-
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n/an/an/an/a 925n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316739
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2S/c1-11(2)22-19-23(14-5-3-4-13(20)10-14)18(25)17(26-19)9-12-6-7-16(24)15(21)8-12/h3-11,24H,1-2H3/b17-9-,22-19-
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n/an/an/an/a 35n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316741
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2-ethy...)
Show SMILES CCc1ccccc1N1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show InChI InChI=1S/C21H21ClN2O2S/c1-4-15-7-5-6-8-17(15)24-20(26)19(27-21(24)23-13(2)3)12-14-9-10-18(25)16(22)11-14/h5-13,25H,4H2,1-3H3/b19-12-,23-21-
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n/an/an/an/a 124n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316743
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,3-di...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(C)c1C
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)23-21-24(17-7-5-6-13(3)14(17)4)20(26)19(27-21)11-15-8-9-18(25)16(22)10-15/h5-12,25H,1-4H3/b19-11-,23-21-
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n/an/an/an/a 72n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316755
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclope...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
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n/an/an/an/a 347n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/an/an/a 123n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316727
PNG
((Z,Z)-5-(4-Hydroxy-benzylidene)-2-isopropylimino-3...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H18N2O2S/c1-13(2)20-19-21(15-6-4-3-5-7-15)18(23)17(24-19)12-14-8-10-16(22)11-9-14/h3-13,22H,1-2H3/b17-12-,20-19-
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n/an/an/an/a 95n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316729
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1
Show InChI InChI=1S/C23H25ClN2O2S/c1-16(2)25-23-26(13-7-6-10-17-8-4-3-5-9-17)22(28)21(29-23)15-18-11-12-20(27)19(24)14-18/h3-5,8-9,11-12,14-16,27H,6-7,10,13H2,1-2H3/b21-15-,25-23-
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n/an/an/an/a 212n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316748
PNG
((Z,Z)-3-Allyl-5-(3-chloro-4-hydroxy-benzylidene)-2...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC=C
Show InChI InChI=1S/C16H17ClN2O2S/c1-4-7-19-15(21)14(22-16(19)18-10(2)3)9-11-5-6-13(20)12(17)8-11/h4-6,8-10,20H,1,7H2,2-3H3/b14-9-,18-16-
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n/an/an/an/a 821n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316756
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclobu...)
Show SMILES Oc1ccc(\C=C2/S\C(=N/C3CCC3)N(C2=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C20H17ClN2O2S/c21-16-11-13(9-10-17(16)24)12-18-19(25)23(15-7-2-1-3-8-15)20(26-18)22-14-5-4-6-14/h1-3,7-12,14,24H,4-6H2/b18-12-,22-20-
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n/an/an/an/a 128n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50316762
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-phenyl-...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-2-10-21-19-22(14-6-4-3-5-7-14)18(24)17(25-19)12-13-8-9-16(23)15(20)11-13/h3-9,11-12,23H,2,10H2,1H3/b17-12-,21-19-
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n/an/an/an/a 189n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316717
PNG
((Z,Z)-5-(3-Hydroxy-4-methoxy-benzylidene)-2-isopro...)
Show SMILES COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-17(25-3)16(23)11-14/h4-13,23H,1-3H3/b18-12-,21-20-
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n/an/an/an/a 444n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316721
PNG
((Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropyli...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(cc2)N(C)C)C(=O)N1c1ccccc1
Show InChI InChI=1S/C21H23N3OS/c1-15(2)22-21-24(18-8-6-5-7-9-18)20(25)19(26-21)14-16-10-12-17(13-11-16)23(3)4/h5-15H,1-4H3/b19-14-,22-21-
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n/an/an/an/a 148n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316724
PNG
((Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopro...)
Show SMILES COc1cc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-
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n/an/an/an/a 200n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316732
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1
Show InChI InChI=1S/C18H16ClN3O2S/c1-11(2)21-18-22(13-4-3-7-20-10-13)17(24)16(25-18)9-12-5-6-15(23)14(19)8-12/h3-11,23H,1-2H3/b16-9-,21-18-
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n/an/an/an/a 356n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316733
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(2,4-di...)
Show SMILES COc1ccc(N2\C(S\C(=C/c3ccc(O)c(Cl)c3)C2=O)=N\C(C)C)c(OC)c1
Show InChI InChI=1S/C21H21ClN2O4S/c1-12(2)23-21-24(16-7-6-14(27-3)11-18(16)28-4)20(26)19(29-21)10-13-5-8-17(25)15(22)9-13/h5-12,25H,1-4H3/b19-10-,23-21-
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n/an/an/an/a 875n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316738
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-(3-chlo...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1C
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-11(2)23-20-24(16-6-4-5-14(21)12(16)3)19(26)18(27-20)10-13-7-8-17(25)15(22)9-13/h4-11,25H,1-3H3/b18-10-,23-20-
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n/an/an/an/a 31n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316745
PNG
((Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isoprop...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)cc1
Show InChI InChI=1S/C20H19ClN2O2S/c1-12(2)22-20-23(15-7-4-13(3)5-8-15)19(25)18(26-20)11-14-6-9-17(24)16(21)10-14/h4-12,24H,1-3H3/b18-11-,22-20-
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n/an/an/an/a 78n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50316748
PNG
((Z,Z)-3-Allyl-5-(3-chloro-4-hydroxy-benzylidene)-2...)
Show SMILES CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC=C
Show InChI InChI=1S/C16H17ClN2O2S/c1-4-7-19-15(21)14(22-16(19)18-10(2)3)9-11-5-6-13(20)12(17)8-11/h4-6,8-10,20H,1,7H2,2-3H3/b14-9-,18-16-
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n/an/an/an/a 55n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%