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PubMed code 19954976

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305378
PNG
(4-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)9-6-12-4-7-13(8-5-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b9-6+/t14-,18-/m1/s1
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n/an/an/an/a 119n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305382
PNG
(3-(Phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H20N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305380
PNG
(3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305378
PNG
(4-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)9-6-12-4-7-13(8-5-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b9-6+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305384
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...)
Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305374
PNG
(3-(3,4-Dimethoxy-phenyl)-1-((3bS,4aR)-3,4,4-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)n2nc(C)c3[C@H]4[C@@H](Cc23)C4(C)C)cc1OC
Show InChI InChI=1S/C21H24N2O3/c1-12-19-15(11-14-20(19)21(14,2)3)23(22-12)18(24)9-7-13-6-8-16(25-4)17(10-13)26-5/h6-10,14,20H,11H2,1-5H3/b9-7+/t14-,20-/m1/s1
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n/an/an/an/a 900n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305377
PNG
(3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 82n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305383
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,...)
Show SMILES Cc1nn(C\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305386
PNG
(1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-...)
Show SMILES CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
Show InChI InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305375
PNG
(3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-11-17-15(10-13-18(17)19(13,2)3)22(21-11)16(23)9-8-12-6-4-5-7-14(12)20/h4-9,13,18H,10H2,1-3H3/b9-8+/t13-,18-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305384
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...)
Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305376
PNG
(3-(3-Trifluoromethyl-phenyl)-1-((3bS,4aR)-3,4,4-tr...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C20H19F3N2O/c1-11-17-15(10-14-18(17)19(14,2)3)25(24-11)16(26)8-7-12-5-4-6-13(9-12)20(21,22)23/h4-9,14,18H,10H2,1-3H3/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305380
PNG
(3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305385
PNG
(3-Phenyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)CCc2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-11H2,1-3H3/t14-,18-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305376
PNG
(3-(3-Trifluoromethyl-phenyl)-1-((3bS,4aR)-3,4,4-tr...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C20H19F3N2O/c1-11-17-15(10-14-18(17)19(14,2)3)25(24-11)16(26)8-7-12-5-4-6-13(9-12)20(21,22)23/h4-9,14,18H,10H2,1-3H3/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 325n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305385
PNG
(3-Phenyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)CCc2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-11H2,1-3H3/t14-,18-/m1/s1
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n/an/an/an/a 86n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305374
PNG
(3-(3,4-Dimethoxy-phenyl)-1-((3bS,4aR)-3,4,4-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)n2nc(C)c3[C@H]4[C@@H](Cc23)C4(C)C)cc1OC
Show InChI InChI=1S/C21H24N2O3/c1-12-19-15(11-14-20(19)21(14,2)3)23(22-12)18(24)9-7-13-6-8-16(25-4)17(10-13)26-5/h6-10,14,20H,11H2,1-5H3/b9-7+/t14-,20-/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305380
PNG
(3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305382
PNG
(3-(Phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H20N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305386
PNG
(1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-...)
Show SMILES CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
Show InChI InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305373
PNG
(3-Cyclohexyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,...)
Show SMILES Cc1nn(C(=O)\C=C\C2CCCCC2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H26N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h9-10,13-14,18H,4-8,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305373
PNG
(3-Cyclohexyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,...)
Show SMILES Cc1nn(C(=O)\C=C\C2CCCCC2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H26N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h9-10,13-14,18H,4-8,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305379
PNG
(3-(Pyridin-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccncc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(10-13-17(16)18(13,2)3)21(20-11)15(22)5-4-12-6-8-19-9-7-12/h4-9,13,17H,10H2,1-3H3/b5-4+/t13-,17-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305381
PNG
(3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1
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n/an/an/an/a 505n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305376
PNG
(3-(3-Trifluoromethyl-phenyl)-1-((3bS,4aR)-3,4,4-tr...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C20H19F3N2O/c1-11-17-15(10-14-18(17)19(14,2)3)25(24-11)16(26)8-7-12-5-4-6-13(9-12)20(21,22)23/h4-9,14,18H,10H2,1-3H3/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305385
PNG
(3-Phenyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)CCc2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-11H2,1-3H3/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305376
PNG
(3-(3-Trifluoromethyl-phenyl)-1-((3bS,4aR)-3,4,4-tr...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C20H19F3N2O/c1-11-17-15(10-14-18(17)19(14,2)3)25(24-11)16(26)8-7-12-5-4-6-13(9-12)20(21,22)23/h4-9,14,18H,10H2,1-3H3/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305375
PNG
(3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-11-17-15(10-13-18(17)19(13,2)3)22(21-11)16(23)9-8-12-6-4-5-7-14(12)20/h4-9,13,18H,10H2,1-3H3/b9-8+/t13-,18-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305386
PNG
(1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-...)
Show SMILES CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
Show InChI InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305378
PNG
(4-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)9-6-12-4-7-13(8-5-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b9-6+/t14-,18-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305379
PNG
(3-(Pyridin-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccncc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(10-13-17(16)18(13,2)3)21(20-11)15(22)5-4-12-6-8-19-9-7-12/h4-9,13,17H,10H2,1-3H3/b5-4+/t13-,17-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305373
PNG
(3-Cyclohexyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,...)
Show SMILES Cc1nn(C(=O)\C=C\C2CCCCC2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H26N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h9-10,13-14,18H,4-8,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305383
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,...)
Show SMILES Cc1nn(C\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305375
PNG
(3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-11-17-15(10-13-18(17)19(13,2)3)22(21-11)16(23)9-8-12-6-4-5-7-14(12)20/h4-9,13,18H,10H2,1-3H3/b9-8+/t13-,18-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305378
PNG
(4-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)9-6-12-4-7-13(8-5-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b9-6+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305374
PNG
(3-(3,4-Dimethoxy-phenyl)-1-((3bS,4aR)-3,4,4-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)n2nc(C)c3[C@H]4[C@@H](Cc23)C4(C)C)cc1OC
Show InChI InChI=1S/C21H24N2O3/c1-12-19-15(11-14-20(19)21(14,2)3)23(22-12)18(24)9-7-13-6-8-16(25-4)17(10-13)26-5/h6-10,14,20H,11H2,1-5H3/b9-7+/t14-,20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305375
PNG
(3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-11-17-15(10-13-18(17)19(13,2)3)22(21-11)16(23)9-8-12-6-4-5-7-14(12)20/h4-9,13,18H,10H2,1-3H3/b9-8+/t13-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305380
PNG
(3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1
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n/an/an/an/a 345n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305379
PNG
(3-(Pyridin-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccncc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(10-13-17(16)18(13,2)3)21(20-11)15(22)5-4-12-6-8-19-9-7-12/h4-9,13,17H,10H2,1-3H3/b5-4+/t13-,17-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305382
PNG
(3-(Phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H20N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305383
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,...)
Show SMILES Cc1nn(C\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305373
PNG
(3-Cyclohexyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,...)
Show SMILES Cc1nn(C(=O)\C=C\C2CCCCC2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H26N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h9-10,13-14,18H,4-8,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305374
PNG
(3-(3,4-Dimethoxy-phenyl)-1-((3bS,4aR)-3,4,4-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)n2nc(C)c3[C@H]4[C@@H](Cc23)C4(C)C)cc1OC
Show InChI InChI=1S/C21H24N2O3/c1-12-19-15(11-14-20(19)21(14,2)3)23(22-12)18(24)9-7-13-6-8-16(25-4)17(10-13)26-5/h6-10,14,20H,11H2,1-5H3/b9-7+/t14-,20-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305381
PNG
(3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1
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n/an/an/an/a 995n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305384
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...)
Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305384
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...)
Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305377
PNG
(3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305377
PNG
(3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50305379
PNG
(3-(Pyridin-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccncc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C18H19N3O/c1-11-16-14(10-13-17(16)18(13,2)3)21(20-11)15(22)5-4-12-6-8-19-9-7-12/h4-9,13,17H,10H2,1-3H3/b5-4+/t13-,17-/m1/s1
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n/an/an/an/a 345n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305385
PNG
(3-Phenyl-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)CCc2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-11H2,1-3H3/t14-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305386
PNG
(1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-...)
Show SMILES CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
Show InChI InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305377
PNG
(3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-te...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/s1
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n/an/an/an/a 116n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM50305381
PNG
(3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1
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n/an/an/an/a 560n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305382
PNG
(3-(Phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H20N2O/c1-12-17-15(11-14-18(17)19(14,2)3)21(20-12)16(22)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11H2,1-3H3/b10-9+/t14-,18-/m1/s1
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n/an/an/an/a 1.76E+3n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 5


(Homo sapiens (human))
BDBM50305383
PNG
((3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,...)
Show SMILES Cc1nn(C\C=C\c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50305381
PNG
(3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C
Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 35-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.045
BindingDB Entry DOI: 10.7270/Q2D79BH1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%