BindingDB logo
myBDB logout

PubMed code 21852130

Compile data set for download or QSAR
Found 69 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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.48E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

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

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357782
PNG
(CHEMBL1916580)
Show SMILES COc1cc(cc(c1)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O)C#N
Show InChI InChI=1S/C22H18N4O5/c1-30-17-9-13(12-23)8-16(11-17)22-24-21(25-31-22)15-2-3-18-14(10-15)6-7-26(18)19(27)4-5-20(28)29/h2-3,8-11H,4-7H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10.3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357785
PNG
(CHEMBL1916562)
Show SMILES OC(=O)CC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H13F6N3O4/c22-20(23,24)13-6-12(7-14(8-13)21(25,26)27)19-28-18(29-34-19)11-1-2-15-10(5-11)3-4-30(15)16(31)9-17(32)33/h1-2,5-8H,3-4,9H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 102n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357794
PNG
(CHEMBL1916571)
Show SMILES CC(C)Oc1ccc(cc1Br)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H22BrN3O5/c1-13(2)31-19-6-4-16(12-17(19)24)23-25-22(26-32-23)15-3-5-18-14(11-15)9-10-27(18)20(28)7-8-21(29)30/h3-6,11-13H,7-10H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357763
PNG
(CHEMBL1916402)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357766
PNG
(CHEMBL1916403)
Show SMILES OC(=O)CCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H12F6N4O3/c21-19(22,23)13-6-11(7-14(8-13)20(24,25)26)18-28-17(29-33-18)10-1-2-15-12(5-10)9-27-30(15)4-3-16(31)32/h1-2,5-9H,3-4H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357770
PNG
(CHEMBL1916407)
Show SMILES COC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F6N4O3/c1-35-19(34)4-2-3-7-33-12-15-8-13(5-6-18(15)31-33)20-30-21(36-32-20)14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h5-6,8-12H,2-4,7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 297n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357780
PNG
(CHEMBL1916558)
Show SMILES OC(=O)CCc1nc2ccc(cc2[nH]1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H12F6N4O3/c21-19(22,23)11-5-10(6-12(8-11)20(24,25)26)18-29-17(30-33-18)9-1-2-13-14(7-9)28-15(27-13)3-4-16(31)32/h1-2,5-8H,3-4H2,(H,27,28)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357787
PNG
(CHEMBL1916564)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(C2CCCC2)c(Cl)c1
Show InChI InChI=1S/C25H24ClN3O4/c26-20-14-18(5-7-19(20)15-3-1-2-4-15)25-27-24(28-33-25)17-6-8-21-16(13-17)11-12-29(21)22(30)9-10-23(31)32/h5-8,13-15H,1-4,9-12H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.820n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357789
PNG
(CHEMBL1916566)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(OC2CCCC2)c(c1)C#N
Show InChI InChI=1S/C26H24N4O5/c27-15-19-14-18(6-8-22(19)34-20-3-1-2-4-20)26-28-25(29-35-26)17-5-7-21-16(13-17)11-12-30(21)23(31)9-10-24(32)33/h5-8,13-14,20H,1-4,9-12H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357798
PNG
(CHEMBL1916575)
Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C22H18F3N3O5/c1-32-17-5-3-14(11-15(17)22(23,24)25)21-26-20(27-33-21)13-2-4-16-12(10-13)8-9-28(16)18(29)6-7-19(30)31/h2-5,10-11H,6-9H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357799
PNG
(CHEMBL1916576)
Show SMILES COc1ccc(cc1C)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C22H21N3O5/c1-13-11-16(4-6-18(13)29-2)22-23-21(24-30-22)15-3-5-17-14(12-15)9-10-25(17)19(26)7-8-20(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357792
PNG
(CHEMBL1916569)
Show SMILES CC(C)Oc1cc(ccc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C24H22N4O5/c1-14(2)32-20-12-17(3-4-18(20)13-25)24-26-23(27-33-24)16-5-6-19-15(11-16)9-10-28(19)21(29)7-8-22(30)31/h3-6,11-12,14H,7-10H2,1-2H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P2 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 88n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P5 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357763
PNG
(CHEMBL1916402)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357768
PNG
(CHEMBL1916405)
Show SMILES OC(=O)CCCCn1cc2cc(ccc2n1)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H16F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)20-29-19(31-35-20)12-4-5-17-14(7-12)11-32(30-17)6-2-1-3-18(33)34/h4-5,7-11H,1-3,6H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357793
PNG
(CHEMBL1916570)
Show SMILES COc1ccc(cc1OC(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C22H18F3N3O6/c1-32-16-5-3-14(11-17(16)33-22(23,24)25)21-26-20(27-34-21)13-2-4-15-12(10-13)8-9-28(15)18(29)6-7-19(30)31/h2-5,10-11H,6-9H2,1H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357797
PNG
(CHEMBL1916574)
Show SMILES COc1ccc(cc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C22H18N4O5/c1-30-18-5-3-15(11-16(18)12-23)22-24-21(25-31-22)14-2-4-17-13(10-14)8-9-26(17)19(27)6-7-20(28)29/h2-5,10-11H,6-9H2,1H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357801
PNG
(CHEMBL1916578)
Show SMILES CCc1ccc(cc1S(C)(=O)=O)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H23N3O6S/c1-3-14-4-5-17(13-19(14)33(2,30)31)23-24-22(25-32-23)16-6-7-18-15(12-16)10-11-26(18)20(27)8-9-21(28)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 38n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF ass...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P3 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357765
PNG
(CHEMBL1916400)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N(CC=C)c1ccccc1
Show InChI InChI=1S/C15H13Cl2NO2S/c1-2-8-18(14-6-4-3-5-7-14)21(19,20)15-10-12(16)9-13(17)11-15/h2-7,9-11H,1,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357773
PNG
(CHEMBL1916410)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)N1CCc2[nH]ncc2C1
Show InChI InChI=1S/C16H11F6N5O/c17-15(18,19)10-3-8(4-11(5-10)16(20,21)22)13-24-14(26-28-13)27-2-1-12-9(7-27)6-23-25-12/h3-6H,1-2,7H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 24n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357783
PNG
(CHEMBL1916560)
Show SMILES OC(=O)CCN1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O3/c22-20(23,24)14-8-13(9-15(10-14)21(25,26)27)19-28-18(29-33-19)12-1-2-16-11(7-12)3-5-30(16)6-4-17(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.10n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357790
PNG
(CHEMBL1916567)
Show SMILES CC[C@H](C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C24H24ClN3O5/c1-3-14(2)32-20-7-5-17(13-18(20)25)24-26-23(27-33-24)16-4-6-19-15(12-16)10-11-28(19)21(29)8-9-22(30)31/h4-7,12-14H,3,8-11H2,1-2H3,(H,30,31)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357791
PNG
(CHEMBL1916568)
Show SMILES COc1cc(ccc1OC(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C22H19F2N3O6/c1-31-17-11-14(3-5-16(17)32-22(23)24)21-25-20(26-33-21)13-2-4-15-12(10-13)8-9-27(15)18(28)6-7-19(29)30/h2-5,10-11,22H,6-9H2,1H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 109n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P5 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357769
PNG
(CHEMBL1916406)
Show SMILES CCOC(=O)CCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H16F6N4O3/c1-2-34-18(33)5-6-32-17-4-3-12(7-14(17)11-29-32)19-30-20(35-31-19)13-8-15(21(23,24)25)10-16(9-13)22(26,27)28/h3-4,7-11H,2,5-6H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>100n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357771
PNG
(CHEMBL1916408)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)N1CCc2nc[nH]c2C1
Show InChI InChI=1S/C16H11F6N5O/c17-15(18,19)9-3-8(4-10(5-9)16(20,21)22)13-25-14(26-28-13)27-2-1-11-12(6-27)24-7-23-11/h3-5,7H,1-2,6H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 406n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357778
PNG
(CHEMBL1916556)
Show SMILES OC(=O)CCCn1ncc2CN(CCc12)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5O3/c21-19(22,23)13-6-11(7-14(8-13)20(24,25)26)17-28-18(29-34-17)30-5-3-15-12(10-30)9-27-31(15)4-1-2-16(32)33/h6-9H,1-5,10H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 369n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357786
PNG
(CHEMBL1916563)
Show SMILES N[C@@H](CC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H16F6N4O4/c23-21(24,25)13-6-12(7-14(8-13)22(26,27)28)19-30-18(31-36-19)11-1-2-16-10(5-11)3-4-32(16)17(33)9-15(29)20(34)35/h1-2,5-8,15H,3-4,9,29H2,(H,34,35)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.63n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357792
PNG
(CHEMBL1916569)
Show SMILES CC(C)Oc1cc(ccc1C#N)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C24H22N4O5/c1-14(2)32-20-12-17(3-4-18(20)13-25)24-26-23(27-33-24)16-5-6-19-15(11-16)9-10-28(19)21(29)7-8-22(30)31/h3-6,11-12,14H,7-10H2,1-2H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357795
PNG
(CHEMBL1916572)
Show SMILES CCc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-2-13-3-4-16(12-17(13)23(24,25)26)22-27-21(28-33-22)15-5-6-18-14(11-15)9-10-29(18)19(30)7-8-20(31)32/h3-6,11-12H,2,7-10H2,1H3,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357800
PNG
(CHEMBL1916577)
Show SMILES COc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
Show InChI InChI=1S/C21H18ClN3O5/c1-29-17-5-3-14(11-15(17)22)21-23-20(24-30-21)13-2-4-16-12(10-13)8-9-25(16)18(26)6-7-19(27)28/h2-5,10-11H,6-9H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P4 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357774
PNG
(CHEMBL1916411)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H9F6N3O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16-26-15(27-28-16)10-1-2-14-9(5-10)3-4-25-14/h1-8,25H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357775
PNG
(CHEMBL1916553)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C17H8F6N4O/c18-16(19,20)10-3-9(4-11(6-10)17(21,22)23)15-26-14(27-28-15)8-1-2-12-13(5-8)25-7-24-12/h1-7H,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357784
PNG
(CHEMBL1916561)
Show SMILES OC(=O)CCCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.60n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357788
PNG
(CHEMBL1916565)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(-c2cccs2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H18F3N3O4S/c26-25(27,28)18-13-16(3-5-17(18)20-2-1-11-36-20)24-29-23(30-35-24)15-4-6-19-14(12-15)9-10-31(19)21(32)7-8-22(33)34/h1-6,11-13H,7-10H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357796
PNG
(CHEMBL1916573)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(Cl)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H15ClF3N3O5/c22-14-3-1-13(10-16(14)32-21(23,24)25)20-26-19(27-33-20)12-2-4-15-11(9-12)7-8-28(15)17(29)5-6-18(30)31/h1-4,9-10H,5-8H2,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF ass...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P3 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357772
PNG
(CHEMBL1916409)
Show SMILES COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O2/c1-30-16-3-2-12-10-29(5-4-11(12)8-16)18-27-17(31-28-18)13-6-14(19(21,22)23)9-15(7-13)20(24,25)26/h2-3,6-9H,4-5,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357802
PNG
(CHEMBL1916579)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N3O5/c22-21(23,24)31-15-4-1-12(2-5-15)20-25-19(26-32-20)14-3-6-16-13(11-14)9-10-27(16)17(28)7-8-18(29)30/h1-6,11H,7-10H2,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 68n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (S1P1)


(Mus musculus (Mouse))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357762
PNG
(CHEMBL1916401)
Show SMILES CCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6N3O2S/c1-2-26(13-3-4-15-10(5-13)9-24-25-15)29(27,28)14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h3-9H,2H2,1H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 372n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357767
PNG
(CHEMBL1916404)
Show SMILES OC(=O)CCCn1ncc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H14F6N4O3/c22-20(23,24)14-7-12(8-15(9-14)21(25,26)27)19-29-18(30-34-19)11-3-4-16-13(6-11)10-28-31(16)5-1-2-17(32)33/h3-4,6-10H,1-2,5H2,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357776
PNG
(CHEMBL1916554)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nc(no1)-c1ccc2NCCc2c1
Show InChI InChI=1S/C18H11F6N3O/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)16-26-15(27-28-16)10-1-2-14-9(5-10)3-4-25-14/h1-2,5-8,25H,3-4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357777
PNG
(CHEMBL1916555)
Show SMILES OC(=O)COc1ccc2CN(CCc2c1)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O4/c22-20(23,24)14-5-13(6-15(8-14)21(25,26)27)18-28-19(29-34-18)30-4-3-11-7-16(33-10-17(31)32)2-1-12(11)9-30/h1-2,5-8H,3-4,9-10H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 54n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50357779
PNG
(CHEMBL1916557)
Show SMILES OC(=O)CCC(=O)n1ccc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H13F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,5-10H,3-4H2,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF a...


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P2 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50357764
PNG
(CHEMBL1916399)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)33-16-8-12(11-26)7-15(10-16)21-27-20(28-34-21)14-1-2-17-13(9-14)5-6-29(17)18(30)3-4-19(31)32/h1-2,7-10H,3-6H2,(H,31,32)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.33E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human S1P4 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay


Bioorg Med Chem Lett 21: 6013-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%