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PubMed code 25431977

Compile data set for download or QSAR
Found 100 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))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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n/an/a 7.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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n/an/a 2.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 2.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034566
PNG
(CHEMBL3359845)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CC(O)=O)CCc2c1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-19(12-20(21)13-25)24-26-23(27-32-24)18-4-3-16-7-9-28(14-22(29)30)10-8-17(16)11-18/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034611
PNG
(CHEMBL3360379)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CCC(O)=O)CCc12
Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-7-6-17(14-20(21)25)24-26-23(27-32-24)19-5-3-4-16-8-11-28(12-9-18(16)19)13-10-22(29)30/h3-7,14-15H,8-13H2,1-2H3,(H,29,30)
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034614
PNG
(CHEMBL3360376)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCC(O)=O)Cc12
Show InChI InChI=1S/C22H22ClN3O4/c1-13(2)29-19-7-6-14(10-18(19)23)22-24-21(25-30-22)16-5-3-4-15-11-26(12-17(15)16)9-8-20(27)28/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,27,28)
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n/an/an/an/a 7.94E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034628
PNG
(CHEMBL3360368)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCNCc2c1
Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-19-6-4-15(10-16(19)11-22)21-24-20(25-28-21)14-3-5-18-17(9-14)12-23-7-8-26-18/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a 6.31E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034564
PNG
(CHEMBL3359848)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12
Show InChI InChI=1S/C22H22ClN3O4/c1-12(2)29-19-7-6-13(10-17(19)23)22-25-21(26-30-22)16-5-3-4-15-14(16)8-9-24-18(15)11-20(27)28/h3-7,10,12,18,24H,8-9,11H2,1-2H3,(H,27,28)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034612
PNG
(CHEMBL3360378)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-9-8-16(11-18(21)12-25)24-26-23(27-32-24)19-6-3-5-17-13-28(14-20(17)19)10-4-7-22(29)30/h3,5-6,8-9,11,15H,4,7,10,13-14H2,1-2H3,(H,29,30)
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034624
PNG
(CHEMBL3360371)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCOc2c1
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-17-6-5-14(9-16(17)21)20-23-19(24-27-20)13-3-4-15-11-22-7-8-25-18(15)10-13/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034632
PNG
(CHEMBL3360364)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCc2c1
Show InChI InChI=1S/C21H20N4O2/c1-13(2)26-19-6-5-16(10-18(19)11-22)21-24-20(25-27-21)15-3-4-17-12-23-8-7-14(17)9-15/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034560
PNG
(CHEMBL3359851)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(CCC(O)=O)NCc2c1
Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-20-7-4-15(10-18(20)24)23-26-22(27-32-23)14-3-6-19-16(9-14)11-25-17(12-30-19)5-8-21(28)29/h3-4,6-7,9-10,13,17,25H,5,8,11-12H2,1-2H3,(H,28,29)
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034561
PNG
(CHEMBL3359850)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(NCc2c1)C(O)=O
Show InChI InChI=1S/C21H20ClN3O5/c1-11(2)29-18-6-4-13(8-15(18)22)20-24-19(25-30-20)12-3-5-17-14(7-12)9-23-16(10-28-17)21(26)27/h3-8,11,16,23H,9-10H2,1-2H3,(H,26,27)
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034563
PNG
(CHEMBL3359849)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12
Show InChI InChI=1S/C23H22N4O4/c1-13(2)30-20-7-6-14(10-15(20)12-24)23-26-22(27-31-23)18-5-3-4-17-16(18)8-9-25-19(17)11-21(28)29/h3-7,10,13,19,25H,8-9,11H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.26E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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n/an/an/an/a 7.94E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034565
PNG
(CHEMBL3359846)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)CCc2c1
Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-6-5-19(14-20(21)25)24-26-23(27-32-24)18-4-3-16-7-10-28(12-9-22(29)30)11-8-17(16)13-18/h3-6,13-15H,7-12H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034571
PNG
(CHEMBL3359839)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C23H24ClN3O5/c1-14(2)31-20-6-4-16(12-18(20)24)23-25-22(26-32-23)15-3-5-19-17(11-15)13-27(9-10-30-19)8-7-21(28)29/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034633
PNG
(CHEMBL3360363)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CCNCCc12
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-7-6-16(12-17(20)13-23)22-25-21(26-28-22)19-5-3-4-15-8-10-24-11-9-18(15)19/h3-7,12,14,24H,8-11H2,1-2H3
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n/an/an/an/a 7.94E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034561
PNG
(CHEMBL3359850)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(NCc2c1)C(O)=O
Show InChI InChI=1S/C21H20ClN3O5/c1-11(2)29-18-6-4-13(8-15(18)22)20-24-19(25-30-20)12-3-5-17-14(7-12)9-23-16(10-28-17)21(26)27/h3-8,11,16,23H,9-10H2,1-2H3,(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034566
PNG
(CHEMBL3359845)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CC(O)=O)CCc2c1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-19(12-20(21)13-25)24-26-23(27-32-24)18-4-3-16-7-9-28(14-22(29)30)10-8-17(16)11-18/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034567
PNG
(CHEMBL3359843)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CC(O)=O)CCc12
Show InChI InChI=1S/C23H22N4O4/c1-14(2)30-20-7-6-15(10-17(20)11-24)23-25-22(26-31-23)19-5-3-4-16-12-27(13-21(28)29)9-8-18(16)19/h3-7,10,14H,8-9,12-13H2,1-2H3,(H,28,29)
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034569
PNG
(CHEMBL3359841)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1
Show InChI InChI=1S/C25H26N4O5/c1-16(2)33-22-8-6-18(13-19(22)14-26)25-27-24(28-34-25)17-5-7-21-20(12-17)15-29(10-11-32-21)9-3-4-23(30)31/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(H,30,31)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034571
PNG
(CHEMBL3359839)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C23H24ClN3O5/c1-14(2)31-20-6-4-16(12-18(20)24)23-25-22(26-32-23)15-3-5-19-17(11-15)13-27(9-10-30-19)8-7-21(28)29/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,29)
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034617
PNG
(CHEMBL3360373)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCCc2c1
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-8-7-16(11-18(19)22)21-24-20(25-27-21)15-5-6-17-12-23-9-3-4-14(17)10-15/h5-8,10-11,13,23H,3-4,9,12H2,1-2H3
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034568
PNG
(CHEMBL3359842)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-18(12-20(21)13-25)24-26-23(27-32-24)17-3-4-19-14-28(10-8-22(29)30)9-7-16(19)11-17/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 3.98E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034613
PNG
(CHEMBL3360377)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12
Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-9-8-15(11-19(20)24)23-25-22(26-31-23)17-6-3-5-16-12-27(13-18(16)17)10-4-7-21(28)29/h3,5-6,8-9,11,14H,4,7,10,12-13H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034630
PNG
(CHEMBL3360366)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCOc12
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-17-7-6-13(10-16(17)21)20-23-19(24-27-20)15-5-3-4-14-11-22-8-9-25-18(14)15/h3-7,10,12,22H,8-9,11H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034634
PNG
(CHEMBL3360362)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCNCCc12
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-7-6-15(12-18(19)22)21-24-20(25-27-21)17-5-3-4-14-8-10-23-11-9-16(14)17/h3-7,12-13,23H,8-11H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034636
PNG
(CHEMBL3360359)
Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2n(CCC([O-])=O)ncc2c1
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-6-4-14(10-16(18)22)21-24-20(25-30-21)13-3-5-17-15(9-13)11-23-26(17)8-7-19(27)28;/h3-6,9-12H,7-8H2,1-2H3,(H,27,28);/q;+1/p-1
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034568
PNG
(CHEMBL3359842)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-6-5-18(12-20(21)13-25)24-26-23(27-32-24)17-3-4-19-14-28(10-8-22(29)30)9-7-16(19)11-17/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034629
PNG
(CHEMBL3360367)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCCNCc2c1
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-18-6-4-14(10-16(18)21)20-23-19(24-27-20)13-3-5-17-15(9-13)11-22-7-8-25-17/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034631
PNG
(CHEMBL3360365)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCc12
Show InChI InChI=1S/C20H20ClN3O2/c1-12(2)25-18-7-6-13(10-17(18)21)20-23-19(24-26-20)16-5-3-4-14-11-22-9-8-15(14)16/h3-7,10,12,22H,8-9,11H2,1-2H3
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034637
PNG
(CHEMBL3360358)
Show SMILES [Na+].[O-]C(=O)c1cnn(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C24H15F3N4O3S.Na/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(35-20)22-29-21(30-34-22)16-8-6-14(7-9-16)12-31-13-17(11-28-31)23(32)33;/h1-11,13H,12H2,(H,32,33);/q;+1/p-1
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n/an/an/an/a 251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034569
PNG
(CHEMBL3359841)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCCC(O)=O)Cc2c1
Show InChI InChI=1S/C25H26N4O5/c1-16(2)33-22-8-6-18(13-19(22)14-26)25-27-24(28-34-25)17-5-7-21-20(12-17)15-29(10-11-32-21)9-3-4-23(30)31/h5-8,12-13,16H,3-4,9-11,15H2,1-2H3,(H,30,31)
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n/an/an/an/a 2.51E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034615
PNG
(CHEMBL3360375)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCCc12
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-9-8-14(11-18(19)22)21-24-20(25-27-21)17-6-3-5-15-12-23-10-4-7-16(15)17/h3,5-6,8-9,11,13,23H,4,7,10,12H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034622
PNG
(CHEMBL3360372)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCOc2c1
Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-18-6-5-15(9-17(18)11-22)21-24-20(25-28-21)14-3-4-16-12-23-7-8-26-19(16)10-14/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034631
PNG
(CHEMBL3360365)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCc12
Show InChI InChI=1S/C20H20ClN3O2/c1-12(2)25-18-7-6-13(10-17(18)21)20-23-19(24-26-20)16-5-3-4-14-11-22-9-8-15(14)16/h3-7,10,12,22H,8-9,11H2,1-2H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034632
PNG
(CHEMBL3360364)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCc2c1
Show InChI InChI=1S/C21H20N4O2/c1-13(2)26-19-6-5-16(10-18(19)11-22)21-24-20(25-27-21)15-3-4-17-12-23-8-7-14(17)9-15/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a 3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034556
PNG
(CHEMBL3359844)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034570
PNG
(CHEMBL3359840)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034626
PNG
(CHEMBL3360370)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-6-5-18(12-19(20)13-23)22-25-21(26-28-22)17-4-3-15-7-9-24-10-8-16(15)11-17/h3-6,11-12,14,24H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034635
PNG
(CHEMBL3360361)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCc12
Show InChI InChI=1S/C19H18ClN3O2/c1-11(2)24-17-7-6-12(8-16(17)20)19-22-18(23-25-19)14-5-3-4-13-9-21-10-15(13)14/h3-8,11,21H,9-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034557
PNG
(CHEMBL3360360)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034624
PNG
(CHEMBL3360371)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCOc2c1
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-17-6-5-14(9-16(17)21)20-23-19(24-27-20)13-3-4-15-11-22-7-8-25-18(15)10-13/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034629
PNG
(CHEMBL3360367)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCCNCc2c1
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-18-6-4-14(10-16(18)21)20-23-19(24-27-20)13-3-5-17-15(9-13)11-22-7-8-25-17/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034559
PNG
(CHEMBL3359852)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-19-8-6-14(12-17(19)24)23-26-22(27-32-23)16-5-3-4-15-18(7-9-20(28)29)25-10-11-30-21(15)16/h3-6,8,12-13,18,25H,7,9-11H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034613
PNG
(CHEMBL3360377)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12
Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-9-8-15(11-19(20)24)23-25-22(26-31-23)17-6-3-5-16-12-27(13-18(16)17)10-4-7-21(28)29/h3,5-6,8-9,11,14H,4,7,10,12-13H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034636
PNG
(CHEMBL3360359)
Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2n(CCC([O-])=O)ncc2c1
Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-6-4-14(10-16(18)22)21-24-20(25-30-21)13-3-5-17-15(9-13)11-23-26(17)8-7-19(27)28;/h3-6,9-12H,7-8H2,1-2H3,(H,27,28);/q;+1/p-1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034559
PNG
(CHEMBL3359852)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-19-8-6-14(12-17(19)24)23-26-22(27-32-23)16-5-3-4-15-18(7-9-20(28)29)25-10-11-30-21(15)16/h3-6,8,12-13,18,25H,7,9-11H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034572
PNG
(CHEMBL3359838)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CC(O)=O)CCc12
Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-7-6-16(12-19(20)24)23-25-22(26-31-23)18-5-3-4-15-8-10-27(13-21(28)29)11-9-17(15)18/h3-7,12,14H,8-11,13H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034612
PNG
(CHEMBL3360378)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)Cc12
Show InChI InChI=1S/C24H24N4O4/c1-15(2)31-21-9-8-16(11-18(21)12-25)24-26-23(27-32-24)19-6-3-5-17-13-28(14-20(17)19)10-4-7-22(29)30/h3,5-6,8-9,11,15H,4,7,10,13-14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034617
PNG
(CHEMBL3360373)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CNCCCc2c1
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-8-7-16(11-18(19)22)21-24-20(25-27-21)15-5-6-17-12-23-9-3-4-14(17)10-15/h5-8,10-11,13,23H,3-4,9,12H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034626
PNG
(CHEMBL3360370)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-6-5-18(12-19(20)13-23)22-25-21(26-28-22)17-4-3-15-7-9-24-10-8-16(15)11-17/h3-6,11-12,14,24H,7-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034554
PNG
(CHEMBL3359854)
Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C23H25ClN4O5/c1-13(2)32-23-17(24)11-14(12-26-23)22-27-21(28-33-22)16-6-3-5-15-18(7-4-8-19(29)30)25-9-10-31-20(15)16/h3,5-6,11-13,18,25H,4,7-10H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034555
PNG
(CHEMBL3359847)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCN(CCCC(O)=O)CCc2c1
Show InChI InChI=1S/C26H28N4O4/c1-17(2)33-23-8-7-21(15-22(23)16-27)26-28-25(29-34-26)20-6-5-18-9-12-30(11-3-4-24(31)32)13-10-19(18)14-20/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,31,32)
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034614
PNG
(CHEMBL3360376)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCC(O)=O)Cc12
Show InChI InChI=1S/C22H22ClN3O4/c1-13(2)29-19-7-6-14(10-18(19)23)22-24-21(25-30-22)16-5-3-4-15-11-26(12-17(15)16)9-8-20(27)28/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034615
PNG
(CHEMBL3360375)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCCc12
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-9-8-14(11-18(19)22)21-24-20(25-27-21)17-6-3-5-15-12-23-10-4-7-16(15)17/h3,5-6,8-9,11,13,23H,4,7,10,12H2,1-2H3
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034622
PNG
(CHEMBL3360372)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCOc2c1
Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-18-6-5-15(9-17(18)11-22)21-24-20(25-28-21)14-3-4-16-12-23-7-8-26-19(16)10-14/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034633
PNG
(CHEMBL3360363)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CCNCCc12
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-7-6-16(12-17(20)13-23)22-25-21(26-28-22)19-5-3-4-15-8-10-24-11-9-18(15)19/h3-7,12,14,24H,8-11H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034634
PNG
(CHEMBL3360362)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCNCCc12
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-7-6-15(12-18(19)22)21-24-20(25-27-21)17-5-3-4-14-8-10-23-11-9-16(14)17/h3-7,12-13,23H,8-11H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034558
PNG
(CHEMBL3359853)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-14(2)32-20-10-9-15(13-18(20)25)24-27-23(28-33-24)17-6-3-5-16-19(7-4-8-21(29)30)26-11-12-31-22(16)17/h3,5-6,9-10,13-14,19,26H,4,7-8,11-12H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034567
PNG
(CHEMBL3359843)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2CN(CC(O)=O)CCc12
Show InChI InChI=1S/C23H22N4O4/c1-14(2)30-20-7-6-15(10-17(20)11-24)23-25-22(26-31-23)19-5-3-4-16-12-27(13-21(28)29)9-8-18(16)19/h3-7,10,14H,8-9,12-13H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034570
PNG
(CHEMBL3359840)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C24H24N4O5/c1-15(2)32-21-6-4-17(12-18(21)13-25)24-26-23(27-33-24)16-3-5-20-19(11-16)14-28(9-10-31-20)8-7-22(29)30/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034627
PNG
(CHEMBL3360369)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-6-5-17(12-18(19)22)21-24-20(25-27-21)16-4-3-14-7-9-23-10-8-15(14)11-16/h3-6,11-13,23H,7-10H2,1-2H3
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n/an/an/an/a<3.16E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034637
PNG
(CHEMBL3360358)
Show SMILES [Na+].[O-]C(=O)c1cnn(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)c1
Show InChI InChI=1S/C24H15F3N4O3S.Na/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(35-20)22-29-21(30-34-22)16-8-6-14(7-9-16)12-31-13-17(11-28-31)23(32)33;/h1-11,13H,12H2,(H,32,33);/q;+1/p-1
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n/an/an/an/a 1.59E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034563
PNG
(CHEMBL3359849)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12
Show InChI InChI=1S/C23H22N4O4/c1-13(2)30-20-7-6-14(10-15(20)12-24)23-26-22(27-31-23)18-5-3-4-17-16(18)8-9-25-19(17)11-21(28)29/h3-7,10,13,19,25H,8-9,11H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034565
PNG
(CHEMBL3359846)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCN(CCC(O)=O)CCc2c1
Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-6-5-19(14-20(21)25)24-26-23(27-32-24)18-4-3-16-7-10-28(12-9-22(29)30)11-8-17(16)13-18/h3-6,13-15H,7-12H2,1-2H3,(H,29,30)
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034627
PNG
(CHEMBL3360369)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2CCNCCc2c1
Show InChI InChI=1S/C21H22ClN3O2/c1-13(2)26-19-6-5-17(12-18(19)22)21-24-20(25-27-21)16-4-3-14-7-9-23-10-8-15(14)11-16/h3-6,11-13,23H,7-10H2,1-2H3
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034628
PNG
(CHEMBL3360368)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2OCCNCc2c1
Show InChI InChI=1S/C21H20N4O3/c1-13(2)27-19-6-4-15(10-16(19)11-22)21-24-20(25-28-21)14-3-5-18-17(9-14)12-23-7-8-26-18/h3-6,9-10,13,23H,7-8,12H2,1-2H3
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034564
PNG
(CHEMBL3359848)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12
Show InChI InChI=1S/C22H22ClN3O4/c1-12(2)29-19-7-6-13(10-17(19)23)22-25-21(26-30-22)16-5-3-4-15-14(16)8-9-24-18(15)11-20(27)28/h3-7,10,12,18,24H,8-9,11H2,1-2H3,(H,27,28)
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n/an/an/an/a 5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034616
PNG
(CHEMBL3360374)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-8-7-17(11-19(20)12-23)22-25-21(26-28-22)16-5-6-18-13-24-9-3-4-15(18)10-16/h5-8,10-11,14,24H,3-4,9,13H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50034635
PNG
(CHEMBL3360361)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCc12
Show InChI InChI=1S/C19H18ClN3O2/c1-11(2)24-17-7-6-12(8-16(17)20)19-22-18(23-25-19)14-5-3-4-13-9-21-10-15(13)14/h3-8,11,21H,9-10H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034558
PNG
(CHEMBL3359853)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CCCC(O)=O)NCCOc12
Show InChI InChI=1S/C24H26ClN3O5/c1-14(2)32-20-10-9-15(13-18(20)25)24-27-23(28-33-24)17-6-3-5-16-19(7-4-8-21(29)30)26-11-12-31-22(16)17/h3,5-6,9-10,13-14,19,26H,4,7-8,11-12H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034560
PNG
(CHEMBL3359851)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2OCC(CCC(O)=O)NCc2c1
Show InChI InChI=1S/C23H24ClN3O5/c1-13(2)31-20-7-4-15(10-18(20)24)23-26-22(27-32-23)14-3-6-19-16(9-14)11-25-17(12-30-19)5-8-21(28)29/h3-4,6-7,9-10,13,17,25H,5,8,11-12H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034572
PNG
(CHEMBL3359838)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CC(O)=O)CCc12
Show InChI InChI=1S/C23H24ClN3O4/c1-14(2)30-20-7-6-16(12-19(20)24)23-25-22(26-31-23)18-5-3-4-15-8-10-27(13-21(28)29)11-9-17(15)18/h3-7,12,14H,8-11,13H2,1-2H3,(H,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034611
PNG
(CHEMBL3360379)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CCN(CCC(O)=O)CCc12
Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)31-21-7-6-17(14-20(21)25)24-26-23(27-32-24)19-5-3-4-16-8-11-28(12-9-18(16)19)13-10-22(29)30/h3-7,14-15H,8-13H2,1-2H3,(H,29,30)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034616
PNG
(CHEMBL3360374)
Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CNCCCc2c1
Show InChI InChI=1S/C22H22N4O2/c1-14(2)27-20-8-7-17(11-19(20)12-23)22-25-21(26-28-22)16-5-6-18-13-24-9-3-4-15(18)10-16/h5-8,10-11,14,24H,3-4,9,13H2,1-2H3
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UniChem

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Article
PubMed
n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50034630
PNG
(CHEMBL3360366)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CNCCOc12
Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)26-17-7-6-13(10-16(17)21)20-23-19(24-27-20)15-5-3-4-14-11-22-8-9-25-18(14)15/h3-7,10,12,22H,8-9,11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins


J Med Chem 57: 10424-42 (2014)


Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%