new BindingDB logo
myBDB logout

PubMed code 22487179

Compile data set for download or QSAR
Found 50 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 3


(Homo sapiens (Human))
BDBM50381891
PNG
(CHEMBL2022707)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1nnc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O3S2/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)32-22(16)24-27-26-23(33-24)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381896
PNG
(CHEMBL2022914)
Show SMILES CCc1cc(ccc1OC(C)C)-c1cnc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC
Show InChI InChI=1S/C26H31N3O3S/c1-5-17-11-18(7-10-23(17)32-16(3)4)24-12-27-25(33-24)21-9-8-20(28-22(21)6-2)15-29-13-19(14-29)26(30)31/h7-12,16,19H,5-6,13-15H2,1-4H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381901
PNG
(CHEMBL2022906)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(c1)C(C)C
Show InChI InChI=1S/C26H32N2O3S2/c1-6-17-9-20(14-28-12-19(13-28)26(29)30)32-24(17)25-27-11-23(33-25)18-7-8-22(31-16(4)5)21(10-18)15(2)3/h7-11,15-16,19H,6,12-14H2,1-5H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381904
PNG
(CHEMBL2022909)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(C(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O2S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)29-22(16)23-25-10-21(30-23)17-6-7-20(14(2)3)15(4)8-17/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381912
PNG
(CHEMBL2022901)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O3S2/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)32-24(17)23-13-27-25(33-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381900
PNG
(CHEMBL2022905)
Show SMILES CCCc1cc(ccc1OC(C)C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C26H32N2O3S2/c1-5-7-18-10-19(8-9-22(18)31-16(3)4)23-12-27-25(33-23)24-17(6-2)11-21(32-24)15-28-13-20(14-28)26(29)30/h8-12,16,20H,5-7,13-15H2,1-4H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381892
PNG
(CHEMBL2022915)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)23-11-26-24(32-23)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381897
PNG
(CHEMBL2022916)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(CC(C)C)c(C)c1
Show InChI InChI=1S/C26H31N3O2S/c1-5-23-22(9-8-21(28-23)15-29-13-20(14-29)26(30)31)24-12-27-25(32-24)19-7-6-18(10-16(2)3)17(4)11-19/h6-9,11-12,16,20H,5,10,13-15H2,1-4H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.10n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381907
PNG
(CHEMBL2022705)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cc(no1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-25(17)24-13-23(27-32-24)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381890
PNG
(CHEMBL2022903)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)23-25-10-21(31-23)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381894
PNG
(CHEMBL2022912)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)21-10-25-23(31-21)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381903
PNG
(CHEMBL2022908)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H25ClN2O3S2/c1-4-14-7-17(12-26-10-16(11-26)23(27)28)30-21(14)22-25-9-20(31-22)15-5-6-19(18(24)8-15)29-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381905
PNG
(CHEMBL2022910)
Show SMILES CC[C@H](C)Oc1ccc(cc1C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC |r|
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16(4)30-21-8-7-18(9-15(21)3)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,16,19H,5-6,12-14H2,1-4H3,(H,28,29)/t16-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381907
PNG
(CHEMBL2022705)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cc(no1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-25(17)24-13-23(27-32-24)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381891
PNG
(CHEMBL2022707)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1nnc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O3S2/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)32-22(16)24-27-26-23(33-24)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381911
PNG
(CHEMBL2022900)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O3S2/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)32-24(17)25-27-13-23(33-25)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381902
PNG
(CHEMBL2022907)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(F)c1
Show InChI InChI=1S/C23H25FN2O3S2/c1-4-14-7-17(12-26-10-16(11-26)23(27)28)30-21(14)22-25-9-20(31-22)15-5-6-19(18(24)8-15)29-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.80n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381895
PNG
(CHEMBL2022913)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)24-26-11-23(32-24)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381912
PNG
(CHEMBL2022901)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O3S2/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)32-24(17)23-13-27-25(33-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381890
PNG
(CHEMBL2022903)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)23-25-10-21(31-23)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381897
PNG
(CHEMBL2022916)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(CC(C)C)c(C)c1
Show InChI InChI=1S/C26H31N3O2S/c1-5-23-22(9-8-21(28-23)15-29-13-20(14-29)26(30)31)24-12-27-25(32-24)19-7-6-18(10-16(2)3)17(4)11-19/h6-9,11-12,16,20H,5,10,13-15H2,1-4H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381902
PNG
(CHEMBL2022907)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(F)c1
Show InChI InChI=1S/C23H25FN2O3S2/c1-4-14-7-17(12-26-10-16(11-26)23(27)28)30-21(14)22-25-9-20(31-22)15-5-6-19(18(24)8-15)29-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3,(H,27,28)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381899
PNG
(CHEMBL2022904)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(CC)c1
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16-9-18(7-8-21(16)30-15(3)4)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,15,19H,5-6,12-14H2,1-4H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381909
PNG
(CHEMBL2022708)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-24(17)25-27-13-23(32-25)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381892
PNG
(CHEMBL2022915)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)23-11-26-24(32-23)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381893
PNG
(CHEMBL2022911)
Show SMILES CC[C@@H](C)Oc1ccc(cc1C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC |r|
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16(4)30-21-8-7-18(9-15(21)3)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,16,19H,5-6,12-14H2,1-4H3,(H,28,29)/t16-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381895
PNG
(CHEMBL2022913)
Show SMILES CCc1nc(CN2CC(C2)C(O)=O)ccc1-c1ncc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C25H29N3O3S/c1-5-21-20(8-7-19(27-21)14-28-12-18(13-28)25(29)30)24-26-11-23(32-24)17-6-9-22(16(4)10-17)31-15(2)3/h6-11,15,18H,5,12-14H2,1-4H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381898
PNG
(CHEMBL2022917)
Show SMILES CCc1cc(ccc1CC(C)C)-c1ncc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC
Show InChI InChI=1S/C27H33N3O2S/c1-5-18-12-20(8-7-19(18)11-17(3)4)26-28-13-25(33-26)23-10-9-22(29-24(23)6-2)16-30-14-21(15-30)27(31)32/h7-10,12-13,17,21H,5-6,11,14-16H2,1-4H3,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381901
PNG
(CHEMBL2022906)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(c1)C(C)C
Show InChI InChI=1S/C26H32N2O3S2/c1-6-17-9-20(14-28-12-19(13-28)26(29)30)32-24(17)25-27-11-23(33-25)18-7-8-22(31-16(4)5)21(10-18)15(2)3/h7-11,15-16,19H,6,12-14H2,1-5H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381893
PNG
(CHEMBL2022911)
Show SMILES CC[C@@H](C)Oc1ccc(cc1C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC |r|
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16(4)30-21-8-7-18(9-15(21)3)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,16,19H,5-6,12-14H2,1-4H3,(H,28,29)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381896
PNG
(CHEMBL2022914)
Show SMILES CCc1cc(ccc1OC(C)C)-c1cnc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC
Show InChI InChI=1S/C26H31N3O3S/c1-5-17-11-18(7-10-23(17)32-16(3)4)24-12-27-25(33-24)21-9-8-20(28-22(21)6-2)15-29-13-19(14-29)26(30)31/h7-12,16,19H,5-6,13-15H2,1-4H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381913
PNG
(CHEMBL2022902)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C23H26N2O3S2/c1-4-15-9-19(13-25-11-17(12-25)23(26)27)29-21(15)22-24-10-20(30-22)16-5-7-18(8-6-16)28-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,26,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381899
PNG
(CHEMBL2022904)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(CC)c1
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16-9-18(7-8-21(16)30-15(3)4)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,15,19H,5-6,12-14H2,1-4H3,(H,28,29)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381913
PNG
(CHEMBL2022902)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C23H26N2O3S2/c1-4-15-9-19(13-25-11-17(12-25)23(26)27)29-21(15)22-24-10-20(30-22)16-5-7-18(8-6-16)28-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381905
PNG
(CHEMBL2022910)
Show SMILES CC[C@H](C)Oc1ccc(cc1C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC |r|
Show InChI InChI=1S/C25H30N2O3S2/c1-5-16(4)30-21-8-7-18(9-15(21)3)22-11-26-24(32-22)23-17(6-2)10-20(31-23)14-27-12-19(13-27)25(28)29/h7-11,16,19H,5-6,12-14H2,1-4H3,(H,28,29)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381906
PNG
(CHEMBL2022706)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cc(on1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-25(17)23-13-24(32-27-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381906
PNG
(CHEMBL2022706)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cc(on1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-25(17)23-13-24(32-27-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381908
PNG
(CHEMBL2022704)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1nnc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)24-27-26-23(32-24)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 54n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381910
PNG
(CHEMBL2022899)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-24(17)23-13-27-25(32-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381904
PNG
(CHEMBL2022909)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(C(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O2S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)29-22(16)23-25-10-21(30-23)17-6-7-20(14(2)3)15(4)8-17/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.5n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381908
PNG
(CHEMBL2022704)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1nnc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)24-27-26-23(32-24)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381910
PNG
(CHEMBL2022899)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-24(17)23-13-27-25(32-23)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381911
PNG
(CHEMBL2022900)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O3S2/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)32-24(17)25-27-13-23(33-25)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50381900
PNG
(CHEMBL2022905)
Show SMILES CCCc1cc(ccc1OC(C)C)-c1cnc(s1)-c1sc(CN2CC(C2)C(O)=O)cc1CC
Show InChI InChI=1S/C26H32N2O3S2/c1-5-7-18-10-19(8-9-22(18)31-16(3)4)23-12-27-25(33-23)24-17(6-2)11-21(32-24)15-28-13-20(14-28)26(29)30/h8-12,16,20H,5-7,13-15H2,1-4H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381909
PNG
(CHEMBL2022708)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(o1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N2O4S/c1-2-17-12-22(16-28-14-19(15-28)26(29)30)33-24(17)25-27-13-23(32-25)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,19H,2,14-16H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 90n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381903
PNG
(CHEMBL2022908)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1ncc(s1)-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C23H25ClN2O3S2/c1-4-14-7-17(12-26-10-16(11-26)23(27)28)30-21(14)22-25-9-20(31-22)15-5-6-19(18(24)8-15)29-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381894
PNG
(CHEMBL2022912)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1cnc(s1)-c1ccc(OC(C)C)c(C)c1
Show InChI InChI=1S/C24H28N2O3S2/c1-5-16-9-19(13-26-11-18(12-26)24(27)28)30-22(16)21-10-25-23(31-21)17-6-7-20(15(4)8-17)29-14(2)3/h6-10,14,18H,5,11-13H2,1-4H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50381898
PNG
(CHEMBL2022917)
Show SMILES CCc1cc(ccc1CC(C)C)-c1ncc(s1)-c1ccc(CN2CC(C2)C(O)=O)nc1CC
Show InChI InChI=1S/C27H33N3O2S/c1-5-18-12-20(8-7-19(18)11-17(3)4)26-28-13-25(33-26)23-10-9-22(29-24(23)6-2)16-30-14-21(15-30)27(31)32/h7-10,12-13,17,21H,5-6,11,14-16H2,1-4H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay


Bioorg Med Chem Lett 22: 3083-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.067
BindingDB Entry DOI: 10.7270/Q2JS9RG9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%