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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'heining' and Initial = 'p'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428142
PNG
(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428172
PNG
(CHEMBL2336091)
Show SMILES C\C(=N/OCc1ccc(cc1)-c1ccccc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H26N2O3/c1-19(22-11-7-20(8-12-22)17-26-16-15-25(28)29)27-30-18-21-9-13-24(14-10-21)23-5-3-2-4-6-23/h2-14,26H,15-18H2,1H3,(H,28,29)/b27-19+
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n/an/an/an/a 300n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428144
PNG
(CHEMBL2336069)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(c1)C1CC1
Show InChI InChI=1S/C29H35F3N2O3/c1-19(23-10-11-24(17-33-14-13-28(35)36)26(16-23)22-8-9-22)34-37-18-20-7-12-25(21-5-3-2-4-6-21)27(15-20)29(30,31)32/h7,10-12,15-16,21-22,33H,2-6,8-9,13-14,17-18H2,1H3,(H,35,36)/b34-19+
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n/an/an/an/a 1.30E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428145
PNG
(CHEMBL2336068)
Show SMILES CCc1cc(ccc1CNCCC(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N2O3/c1-3-21-16-23(10-11-24(21)17-32-14-13-27(34)35)19(2)33-36-18-20-9-12-25(22-7-5-4-6-8-22)26(15-20)28(29,30)31/h9-12,15-16,22,32H,3-8,13-14,17-18H2,1-2H3,(H,34,35)/b33-19+
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n/an/an/an/a 7.20E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428146
PNG
(CHEMBL2336067)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(C)c1
Show InChI InChI=1S/C27H33F3N2O3/c1-18-14-22(9-10-23(18)16-31-13-12-26(33)34)19(2)32-35-17-20-8-11-24(21-6-4-3-5-7-21)25(15-20)27(28,29)30/h8-11,14-15,21,31H,3-7,12-13,16-17H2,1-2H3,(H,33,34)/b32-19+
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n/an/an/an/a 5.90E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428147
PNG
(CHEMBL2336066)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(Br)c1
Show InChI InChI=1S/C26H30BrF3N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 1.10E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428148
PNG
(CHEMBL2336065)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(Cl)c1
Show InChI InChI=1S/C26H30ClF3N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 1.90E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428149
PNG
(CHEMBL2336064)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(F)c1
Show InChI InChI=1S/C26H30F4N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 2.20E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428150
PNG
(CHEMBL2336063)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)o1
Show InChI InChI=1S/C24H29F3N2O4/c1-16(22-10-8-19(33-22)14-28-12-11-23(30)31)29-32-15-17-7-9-20(18-5-3-2-4-6-18)21(13-17)24(25,26)27/h7-10,13,18,28H,2-6,11-12,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 2.50E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428151
PNG
(CHEMBL2336062)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)s1
Show InChI InChI=1S/C24H29F3N2O3S/c1-16(22-10-8-19(33-22)14-28-12-11-23(30)31)29-32-15-17-7-9-20(18-5-3-2-4-6-18)21(13-17)24(25,26)27/h7-10,13,18,28H,2-6,11-12,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428152
PNG
(CHEMBL2336061)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cn1
Show InChI InChI=1S/C25H30F3N3O3/c1-17(23-10-8-19(15-30-23)14-29-12-11-24(32)33)31-34-16-18-7-9-21(20-5-3-2-4-6-20)22(13-18)25(26,27)28/h7-10,13,15,20,29H,2-6,11-12,14,16H2,1H3,(H,32,33)/b31-17+
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n/an/an/an/a 2.60E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428153
PNG
(CHEMBL2336087)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)nc1
Show InChI InChI=1S/C25H30F3N3O3/c1-17(20-8-9-21(30-14-20)15-29-12-11-24(32)33)31-34-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)25(26,27)28/h7-10,13-14,19,29H,2-6,11-12,15-16H2,1H3,(H,32,33)/b31-17+
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n/an/an/an/a 4.30E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428154
PNG
(CHEMBL2336086)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H31F3N2O3/c1-18(21-10-7-19(8-11-21)16-30-14-13-25(32)33)31-34-17-20-9-12-23(22-5-3-2-4-6-22)24(15-20)26(27,28)29/h7-12,15,22,30H,2-6,13-14,16-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428155
PNG
(CHEMBL2336085)
Show SMILES C\C(=N/OCc1ccc(C2CCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H29F3N2O3/c1-17(20-9-6-18(7-10-20)15-29-13-12-24(31)32)30-33-16-19-8-11-22(21-4-2-3-5-21)23(14-19)25(26,27)28/h6-11,14,21,29H,2-5,12-13,15-16H2,1H3,(H,31,32)/b30-17+
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n/an/an/an/a 1.60E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428156
PNG
(CHEMBL2336084)
Show SMILES C\C(=N/OCc1ccc(-c2cccs2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C24H23F3N2O3S/c1-16(19-7-4-17(5-8-19)14-28-11-10-23(30)31)29-32-15-18-6-9-20(22-3-2-12-33-22)21(13-18)24(25,26)27/h2-9,12-13,28H,10-11,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 5.90E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428157
PNG
(CHEMBL2336083)
Show SMILES C\C(=N/OCc1ccc(-c2ccco2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C24H23F3N2O4/c1-16(19-7-4-17(5-8-19)14-28-11-10-23(30)31)29-33-15-18-6-9-20(22-3-2-12-32-22)21(13-18)24(25,26)27/h2-9,12-13,28H,10-11,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 3.00E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428142
PNG
(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
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n/an/an/an/a 0.400n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428143
PNG
(CHEMBL2336070)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CN2CC(C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H33F3N2O3/c1-18-12-22(9-10-23(18)14-33-15-24(16-33)27(34)35)19(2)32-36-17-20-8-11-25(21-6-4-3-5-7-21)26(13-20)28(29,30)31/h8-13,21,24H,3-7,14-17H2,1-2H3,(H,34,35)/b32-19+
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n/an/an/an/a 1.60n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428144
PNG
(CHEMBL2336069)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(c1)C1CC1
Show InChI InChI=1S/C29H35F3N2O3/c1-19(23-10-11-24(17-33-14-13-28(35)36)26(16-23)22-8-9-22)34-37-18-20-7-12-25(21-5-3-2-4-6-21)27(15-20)29(30,31)32/h7,10-12,15-16,21-22,33H,2-6,8-9,13-14,17-18H2,1H3,(H,35,36)/b34-19+
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n/an/an/an/a 0.400n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428145
PNG
(CHEMBL2336068)
Show SMILES CCc1cc(ccc1CNCCC(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N2O3/c1-3-21-16-23(10-11-24(21)17-32-14-13-27(34)35)19(2)33-36-18-20-9-12-25(22-7-5-4-6-8-22)26(15-20)28(29,30)31/h9-12,15-16,22,32H,3-8,13-14,17-18H2,1-2H3,(H,34,35)/b33-19+
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n/an/an/an/a 0.700n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428146
PNG
(CHEMBL2336067)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(C)c1
Show InChI InChI=1S/C27H33F3N2O3/c1-18-14-22(9-10-23(18)16-31-13-12-26(33)34)19(2)32-35-17-20-8-11-24(21-6-4-3-5-7-21)25(15-20)27(28,29)30/h8-11,14-15,21,31H,3-7,12-13,16-17H2,1-2H3,(H,33,34)/b32-19+
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n/an/an/an/a 2n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428147
PNG
(CHEMBL2336066)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(Br)c1
Show InChI InChI=1S/C26H30BrF3N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 0.400n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428148
PNG
(CHEMBL2336065)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(Cl)c1
Show InChI InChI=1S/C26H30ClF3N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 0.600n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428149
PNG
(CHEMBL2336064)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)c(F)c1
Show InChI InChI=1S/C26H30F4N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 0.300n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428150
PNG
(CHEMBL2336063)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)o1
Show InChI InChI=1S/C24H29F3N2O4/c1-16(22-10-8-19(33-22)14-28-12-11-23(30)31)29-32-15-17-7-9-20(18-5-3-2-4-6-18)21(13-17)24(25,26)27/h7-10,13,18,28H,2-6,11-12,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 17n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428151
PNG
(CHEMBL2336062)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)s1
Show InChI InChI=1S/C24H29F3N2O3S/c1-16(22-10-8-19(33-22)14-28-12-11-23(30)31)29-32-15-17-7-9-20(18-5-3-2-4-6-18)21(13-17)24(25,26)27/h7-10,13,18,28H,2-6,11-12,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 2.20n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428152
PNG
(CHEMBL2336061)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cn1
Show InChI InChI=1S/C25H30F3N3O3/c1-17(23-10-8-19(15-30-23)14-29-12-11-24(32)33)31-34-16-18-7-9-21(20-5-3-2-4-6-20)22(13-18)25(26,27)28/h7-10,13,15,20,29H,2-6,11-12,14,16H2,1H3,(H,32,33)/b31-17+
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n/an/an/an/a 1.40n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428153
PNG
(CHEMBL2336087)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)nc1
Show InChI InChI=1S/C25H30F3N3O3/c1-17(20-8-9-21(30-14-20)15-29-12-11-24(32)33)31-34-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)25(26,27)28/h7-10,13-14,19,29H,2-6,11-12,15-16H2,1H3,(H,32,33)/b31-17+
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n/an/an/an/a 2.60n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428154
PNG
(CHEMBL2336086)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H31F3N2O3/c1-18(21-10-7-19(8-11-21)16-30-14-13-25(32)33)31-34-17-20-9-12-23(22-5-3-2-4-6-22)24(15-20)26(27,28)29/h7-12,15,22,30H,2-6,13-14,16-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 0.300n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428155
PNG
(CHEMBL2336085)
Show SMILES C\C(=N/OCc1ccc(C2CCCC2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H29F3N2O3/c1-17(20-9-6-18(7-10-20)15-29-13-12-24(31)32)30-33-16-19-8-11-22(21-4-2-3-5-21)23(14-19)25(26,27)28/h6-11,14,21,29H,2-5,12-13,15-16H2,1H3,(H,31,32)/b30-17+
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n/an/an/an/a 0.600n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428156
PNG
(CHEMBL2336084)
Show SMILES C\C(=N/OCc1ccc(-c2cccs2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C24H23F3N2O3S/c1-16(19-7-4-17(5-8-19)14-28-11-10-23(30)31)29-32-15-18-6-9-20(22-3-2-12-33-22)21(13-18)24(25,26)27/h2-9,12-13,28H,10-11,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 18n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428157
PNG
(CHEMBL2336083)
Show SMILES C\C(=N/OCc1ccc(-c2ccco2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C24H23F3N2O4/c1-16(19-7-4-17(5-8-19)14-28-11-10-23(30)31)29-33-15-18-6-9-20(22-3-2-12-32-22)21(13-18)24(25,26)27/h2-9,12-13,28H,10-11,14-15H2,1H3,(H,30,31)/b29-16+
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n/an/an/an/a 15n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428158
PNG
(CHEMBL2336082)
Show SMILES C\C(=N/OCc1ccc(-c2ccc(F)c(F)c2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H23F5N2O3/c1-16(19-5-2-17(3-6-19)14-32-11-10-25(34)35)33-36-15-18-4-8-21(22(12-18)26(29,30)31)20-7-9-23(27)24(28)13-20/h2-9,12-13,32H,10-11,14-15H2,1H3,(H,34,35)/b33-16+
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n/an/an/an/a 16n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428159
PNG
(CHEMBL2336081)
Show SMILES C\C(=N/OCc1ccc(-c2ccc(C)cc2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C27H27F3N2O3/c1-18-3-8-23(9-4-18)24-12-7-21(15-25(24)27(28,29)30)17-35-32-19(2)22-10-5-20(6-11-22)16-31-14-13-26(33)34/h3-12,15,31H,13-14,16-17H2,1-2H3,(H,33,34)/b32-19+
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n/an/an/an/a 94n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428160
PNG
(CHEMBL2336080)
Show SMILES C\C(=N/OCc1ccc(-c2ccc(F)cc2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H24F4N2O3/c1-17(20-5-2-18(3-6-20)15-31-13-12-25(33)34)32-35-16-19-4-11-23(24(14-19)26(28,29)30)21-7-9-22(27)10-8-21/h2-11,14,31H,12-13,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 11n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428161
PNG
(CHEMBL2336079)
Show SMILES C\C(=N/OCc1ccc(-c2ccccc2F)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H24F4N2O3/c1-17(20-9-6-18(7-10-20)15-31-13-12-25(33)34)32-35-16-19-8-11-21(23(14-19)26(28,29)30)22-4-2-3-5-24(22)27/h2-11,14,31H,12-13,15-16H2,1H3,(H,33,34)/b32-17+
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n/an/an/an/a 8n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428162
PNG
(CHEMBL2336078)
Show SMILES C\C(=N/OCc1ccc(cc1)-c1ccccc1C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H25F3N2O3/c1-18(21-10-6-19(7-11-21)16-30-15-14-25(32)33)31-34-17-20-8-12-22(13-9-20)23-4-2-3-5-24(23)26(27,28)29/h2-13,30H,14-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 1.70E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428163
PNG
(CHEMBL2336077)
Show SMILES C\C(=N/OCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H25F3N2O3/c1-18(21-6-2-19(3-7-21)16-30-15-14-25(32)33)31-34-17-20-4-8-22(9-5-20)23-10-12-24(13-11-23)26(27,28)29/h2-13,30H,14-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 1.00E+4n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428164
PNG
(CHEMBL2336076)
Show SMILES COc1ccccc1-c1ccc(CO\N=C(/C)c2ccc(CNCCC(O)=O)cc2)cc1
Show InChI InChI=1S/C26H28N2O4/c1-19(22-11-7-20(8-12-22)17-27-16-15-26(29)30)28-32-18-21-9-13-23(14-10-21)24-5-3-4-6-25(24)31-2/h3-14,27H,15-18H2,1-2H3,(H,29,30)/b28-19+
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n/an/an/an/a 1.40E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428165
PNG
(CHEMBL2336075)
Show SMILES COc1ccc(cc1)-c1ccc(CO\N=C(/C)c2ccc(CNCCC(O)=O)cc2)cc1
Show InChI InChI=1S/C26H28N2O4/c1-19(22-7-3-20(4-8-22)17-27-16-15-26(29)30)28-32-18-21-5-9-23(10-6-21)24-11-13-25(31-2)14-12-24/h3-14,27H,15-18H2,1-2H3,(H,29,30)/b28-19+
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428166
PNG
(CHEMBL2336074)
Show SMILES C\C(=N/OCc1ccc(cc1)-c1ccc(C)cc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H28N2O3/c1-19-3-9-24(10-4-19)25-13-7-22(8-14-25)18-31-28-20(2)23-11-5-21(6-12-23)17-27-16-15-26(29)30/h3-14,27H,15-18H2,1-2H3,(H,29,30)/b28-20+
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n/an/an/an/a 640n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428167
PNG
(CHEMBL2336073)
Show SMILES C\C(=N/OCc1ccc(cc1)-c1ccc(F)cc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H25FN2O3/c1-18(21-6-2-19(3-7-21)16-27-15-14-25(29)30)28-31-17-20-4-8-22(9-5-20)23-10-12-24(26)13-11-23/h2-13,27H,14-17H2,1H3,(H,29,30)/b28-18+
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n/an/an/an/a 210n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428168
PNG
(CHEMBL2336072)
Show SMILES C\C(=N/OCc1ccc(-c2ccccc2)c(c1)C(F)(F)F)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H25F3N2O3/c1-18(21-10-7-19(8-11-21)16-30-14-13-25(32)33)31-34-17-20-9-12-23(22-5-3-2-4-6-22)24(15-20)26(27,28)29/h2-12,15,30H,13-14,16-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 9n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428169
PNG
(CHEMBL2336090)
Show SMILES C\C(=N/OCc1ccc(cc1C(F)(F)F)-c1ccccc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C26H25F3N2O3/c1-18(20-9-7-19(8-10-20)16-30-14-13-25(32)33)31-34-17-23-12-11-22(15-24(23)26(27,28)29)21-5-3-2-4-6-21/h2-12,15,30H,13-14,16-17H2,1H3,(H,32,33)/b31-18+
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n/an/an/an/a 1.00E+4n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428170
PNG
(CHEMBL2336089)
Show SMILES C\C(=N/OCc1ccc(c(F)c1)-c1ccccc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H25FN2O3/c1-18(21-10-7-19(8-11-21)16-27-14-13-25(29)30)28-31-17-20-9-12-23(24(26)15-20)22-5-3-2-4-6-22/h2-12,15,27H,13-14,16-17H2,1H3,(H,29,30)/b28-18+
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n/an/an/an/a 61n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50428171
PNG
(CHEMBL2336088)
Show SMILES C\C(=N/OCc1ccc(cc1F)-c1ccccc1)c1ccc(CNCCC(O)=O)cc1
Show InChI InChI=1S/C25H25FN2O3/c1-18(20-9-7-19(8-10-20)16-27-14-13-25(29)30)28-31-17-23-12-11-22(15-24(23)26)21-5-3-2-4-6-21/h2-12,15,27H,13-14,16-17H2,1H3,(H,29,30)/b28-18+
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n/an/an/an/a 120n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50428143
PNG
(CHEMBL2336070)
Show SMILES C\C(=N/OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F)c1ccc(CN2CC(C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H33F3N2O3/c1-18-12-22(9-10-23(18)14-33-15-24(16-33)27(34)35)19(2)32-36-17-20-8-11-25(21-6-4-3-5-7-21)26(13-20)28(29,30)31/h8-13,21,24H,3-7,14-17H2,1-2H3,(H,34,35)/b32-19+
PDB

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n/an/an/an/a 3.20E+3n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...

ACS Med Chem Lett 4: 333-7 (2013)


Article DOI: 10.1021/ml300396r
BindingDB Entry DOI: 10.7270/Q2RF5WCH
More data for this
Ligand-Target Pair