new BindingDB logo
myBDB logout

PubMed code 24900288

Compile data set for download or QSAR
Found 32 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))
BDBM50335503
PNG
(1-(4-(6-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ncc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)23-27-22-21(31-23)10-17(11-26-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(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>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335518
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopentyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C28H26FN3O2S/c29-22-14-18(15-32-16-19(17-32)27(33)34)8-9-21(22)25-30-23-10-11-24(31-26(23)35-25)28(12-4-5-13-28)20-6-2-1-3-7-20/h1-3,6-11,14,19H,4-5,12-13,15-17H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335508
PNG
(1-(4-(6-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.47E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335515
PNG
(1-((3-fluoro-4-(5-((S)-1-phenylethyl)thiazolo[5,4-...)
Show SMILES C[C@@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r|
Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/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 877n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335508
PNG
(1-(4-(6-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-9-7-17(12-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 221n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335506
PNG
(1-(4-(6-benzylthiazolo[4,5-c]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-17(14-28)24(29)30)6-7-19(20)23-27-21-11-26-18(10-22(21)31-23)8-15-4-2-1-3-5-15/h1-7,9-11,17H,8,12-14H2,(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 5.46E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335517
PNG
(1-(4-(5-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)22-27-21-9-7-18(26-23(21)31-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(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 199n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.21E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335517
PNG
(1-(4-(5-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)22-27-21-9-7-18(26-23(21)31-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(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 478n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335509
PNG
(1-((4-(6-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluo...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)22-27-21-10-17(11-26-23(21)31-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(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 138n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335510
PNG
(1-(3-fluoro-4-(5-(2-phenylpropan-2-yl)thiazolo[5,4...)
Show SMILES CC(C)(c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C26H24FN3O2S/c1-26(2,18-6-4-3-5-7-18)22-11-10-21-24(29-22)33-23(28-21)19-9-8-16(12-20(19)27)13-30-14-17(15-30)25(31)32/h3-12,17H,13-15H2,1-2H3,(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 2.51E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 888n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335503
PNG
(1-(4-(6-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ncc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)23-27-22-21(31-23)10-17(11-26-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(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 1.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335511
PNG
(1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C27H24FN3O2S/c28-21-13-17(14-31-15-18(16-31)26(32)33)7-8-20(21)24-29-22-9-10-23(30-25(22)34-24)27(11-4-12-27)19-5-2-1-3-6-19/h1-3,5-10,13,18H,4,11-12,14-16H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 119n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335513
PNG
(1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...)
Show SMILES C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r|
Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/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 38n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335516
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclohexyl)thiazolo[5,4...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCCC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C29H28FN3O2S/c30-23-15-19(16-33-17-20(18-33)28(34)35)9-10-22(23)26-31-24-11-12-25(32-27(24)36-26)29(13-5-2-6-14-29)21-7-3-1-4-8-21/h1,3-4,7-12,15,20H,2,5-6,13-14,16-18H2,(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335504
PNG
(1-(4-(5-benzylthiazolo[5,4-c]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ncc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-17(14-28)24(29)30)6-7-19(20)23-27-21-10-18(26-11-22(21)31-23)8-15-4-2-1-3-5-15/h1-7,9-11,17H,8,12-14H2,(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>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335511
PNG
(1-(3-fluoro-4-(5-(1-phenylcyclobutyl)thiazolo[5,4-...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C27H24FN3O2S/c28-21-13-17(14-31-15-18(16-31)26(32)33)7-8-20(21)24-29-22-9-10-23(30-25(22)34-24)27(11-4-12-27)19-5-2-1-3-6-19/h1-3,5-10,13,18H,4,11-12,14-16H2,(H,32,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.31E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335513
PNG
(1-((3-fluoro-4-(5-((R)-1-phenylethyl)thiazolo[5,4-...)
Show SMILES C[C@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r|
Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/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 996n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335512
PNG
(1-(4-(5-benzylbenzo[d]thiazol-2-yl)-3-fluorobenzyl...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C25H21FN2O2S/c26-21-11-18(13-28-14-19(15-28)25(29)30)6-8-20(21)24-27-22-12-17(7-9-23(22)31-24)10-16-4-2-1-3-5-16/h1-9,11-12,19H,10,13-15H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 41n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50335514
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C26H22FN3O2S/c27-20-12-16(13-30-14-17(15-30)25(31)32)6-7-19(20)23-28-21-8-9-22(29-24(21)33-23)26(10-11-26)18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 29n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335504
PNG
(1-(4-(5-benzylthiazolo[5,4-c]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ncc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-17(14-28)24(29)30)6-7-19(20)23-27-21-10-18(26-11-22(21)31-23)8-15-4-2-1-3-5-15/h1-7,9-11,17H,8,12-14H2,(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 429n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335505
PNG
(1-((4-(5-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluo...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)23-27-22-21(31-23)9-7-18(26-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(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 144n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335505
PNG
(1-((4-(5-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluo...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)23-27-22-21(31-23)9-7-18(26-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(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 1.01E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335509
PNG
(1-((4-(6-benzylthiazolo[5,4-b]pyridin-2-yl)-3-fluo...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-18(14-28)24(29)30)6-7-19(20)22-27-21-10-17(11-26-23(21)31-22)8-15-4-2-1-3-5-15/h1-7,9-11,18H,8,12-14H2,(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 2.89E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335516
PNG
(1-((3-fluoro-4-(5-(1-phenylcyclohexyl)thiazolo[5,4...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCCC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C29H28FN3O2S/c30-23-15-19(16-33-17-20(18-33)28(34)35)9-10-22(23)26-31-24-11-12-25(32-27(24)36-26)29(13-5-2-6-14-29)21-7-3-1-4-8-21/h1,3-4,7-12,15,20H,2,5-6,13-14,16-18H2,(H,34,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 836n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335506
PNG
(1-(4-(6-benzylthiazolo[4,5-c]pyridin-2-yl)-3-fluor...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1
Show InChI InChI=1S/C24H20FN3O2S/c25-20-9-16(12-28-13-17(14-28)24(29)30)6-7-19(20)23-27-21-11-26-18(10-22(21)31-23)8-15-4-2-1-3-5-15/h1-7,9-11,17H,8,12-14H2,(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 3.98E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335507
PNG
(1-((3-fluoro-4-(6-(1-phenylcyclopropyl)benzo[d]thi...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C27H23FN2O2S/c28-22-12-17(14-30-15-18(16-30)26(31)32)6-8-21(22)25-29-23-9-7-20(13-24(23)33-25)27(10-11-27)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14-16H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 38n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335515
PNG
(1-((3-fluoro-4-(5-((S)-1-phenylethyl)thiazolo[5,4-...)
Show SMILES C[C@@H](c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F |r|
Show InChI InChI=1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/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 35n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50335510
PNG
(1-(3-fluoro-4-(5-(2-phenylpropan-2-yl)thiazolo[5,4...)
Show SMILES CC(C)(c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F
Show InChI InChI=1S/C26H24FN3O2S/c1-26(2,18-6-4-3-5-7-18)22-11-10-21-24(29-22)33-23(28-21)19-9-8-16(12-20(19)27)13-30-14-17(15-30)25(31)32/h3-12,17H,13-15H2,1-2H3,(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 33n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50335507
PNG
(1-((3-fluoro-4-(6-(1-phenylcyclopropyl)benzo[d]thi...)
Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(cc4s3)C3(CC3)c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C27H23FN2O2S/c28-22-12-17(14-30-15-18(16-30)26(31)32)6-8-21(22)25-29-23-9-7-20(13-24(23)33-25)27(10-11-27)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14-16H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 4.67E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay


ACS Med Chem Lett 2: 107-112 (2011)


Article DOI: 10.1021/ml100306h
BindingDB Entry DOI: 10.7270/Q2H995G4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%