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Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 50047407   
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 1


(Homo sapiens (Human))		BDBM50165359
PNG
(CHEMBL3799109)
Show SMILES CCN(C)Cc1ccc(s1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-5-16-10-17(9-15(3)22(16)32-14-18(30)11-25-21(31)13-29)23-26-24(33-27-23)20-8-7-19(34-20)12-28(4)6-2/h7-10,18,29-30H,5-6,11-14H2,1-4H3,(H,25,31)/t18-/m0/s1
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n/an/an/an/a 6.80n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165360
PNG
(CHEMBL3797921)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)C)s1 |r|
Show InChI InChI=1S/C23H30N4O5S/c1-5-15-9-16(8-14(2)21(15)31-13-17(29)10-24-20(30)12-28)22-25-23(32-26-22)19-7-6-18(33-19)11-27(3)4/h6-9,17,28-29H,5,10-13H2,1-4H3,(H,24,30)/t17-/m0/s1
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n/an/an/an/a 5.40n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165361
PNG
(CHEMBL3798293)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CNC(C)C)s1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-5-16-9-17(8-15(4)22(16)32-13-18(30)10-26-21(31)12-29)23-27-24(33-28-23)20-7-6-19(34-20)11-25-14(2)3/h6-9,14,18,25,29-30H,5,10-13H2,1-4H3,(H,26,31)/t18-/m0/s1
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n/an/an/an/a 203n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165362
PNG
(CHEMBL3799299)
Show SMILES CCNCc1ccc(s1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C23H30N4O5S/c1-4-15-9-16(8-14(3)21(15)31-13-17(29)10-25-20(30)12-28)22-26-23(32-27-22)19-7-6-18(33-19)11-24-5-2/h6-9,17,24,28-29H,4-5,10-13H2,1-3H3,(H,25,30)/t17-/m0/s1
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n/an/an/an/a 293n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165363
PNG
(CHEMBL3799007)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CNC)s1 |r|
Show InChI InChI=1S/C22H28N4O5S/c1-4-14-8-15(7-13(2)20(14)30-12-16(28)9-24-19(29)11-27)21-25-22(31-26-21)18-6-5-17(32-18)10-23-3/h5-8,16,23,27-28H,4,9-12H2,1-3H3,(H,24,29)/t16-/m0/s1
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n/an/an/an/a 189n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165364
PNG
(CHEMBL3800430)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CNCC(C)C)s1 |r|
Show InChI InChI=1S/C26H36N4O5S/c1-6-18-9-19(7-17(5)24(18)34-14-20(32)11-28-23(33)13-31)25-29-26(35-30-25)21-8-16(4)22(36-21)12-27-10-15(2)3/h7-9,15,20,27,31-32H,6,10-14H2,1-5H3,(H,28,33)/t20-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165365
PNG
(CHEMBL3797534)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CNC)s1 |r|
Show InChI InChI=1S/C23H30N4O5S/c1-5-15-8-16(6-14(3)21(15)31-12-17(29)9-25-20(30)11-28)22-26-23(32-27-22)18-7-13(2)19(33-18)10-24-4/h6-8,17,24,28-29H,5,9-12H2,1-4H3,(H,25,30)/t17-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165370
PNG
(CHEMBL3799923)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)CCN(C)C)s1 |r|
Show InChI InChI=1S/C27H39N5O5S/c1-7-19-12-20(10-18(3)25(19)36-16-21(34)13-28-24(35)15-33)26-29-27(37-30-26)22-11-17(2)23(38-22)14-32(6)9-8-31(4)5/h10-12,21,33-34H,7-9,13-16H2,1-6H3,(H,28,35)/t21-/m0/s1
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n/an/an/an/a 155n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165371
PNG
(CHEMBL3797357)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)CCO)s1 |r|
Show InChI InChI=1S/C25H34N4O6S/c1-5-17-10-18(8-16(3)23(17)34-14-19(32)11-26-22(33)13-31)24-27-25(35-28-24)20-9-15(2)21(36-20)12-29(4)6-7-30/h8-10,19,30-32H,5-7,11-14H2,1-4H3,(H,26,33)/t19-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165372
PNG
(CHEMBL3798837)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)CC(C)C)s1 |r|
Show InChI InChI=1S/C27H38N4O5S/c1-7-19-10-20(8-18(5)25(19)35-15-21(33)11-28-24(34)14-32)26-29-27(36-30-26)22-9-17(4)23(37-22)13-31(6)12-16(2)3/h8-10,16,21,32-33H,7,11-15H2,1-6H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165373
PNG
(CHEMBL3800591)
Show SMILES CCCCN(C)Cc1sc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C27H38N4O5S/c1-6-8-9-31(5)14-23-17(3)11-22(37-23)27-29-26(30-36-27)20-10-18(4)25(19(7-2)12-20)35-16-21(33)13-28-24(34)15-32/h10-12,21,32-33H,6-9,13-16H2,1-5H3,(H,28,34)/t21-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165374
PNG
(CHEMBL3797940)
Show SMILES CCCN(C)Cc1sc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C26H36N4O5S/c1-6-8-30(5)13-22-16(3)10-21(36-22)26-28-25(29-35-26)19-9-17(4)24(18(7-2)11-19)34-15-20(32)12-27-23(33)14-31/h9-11,20,31-32H,6-8,12-15H2,1-5H3,(H,27,33)/t20-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165375
PNG
(CHEMBL3797412)
Show SMILES CCN(C)Cc1sc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C25H34N4O5S/c1-6-17-10-18(8-16(4)23(17)33-14-19(31)11-26-22(32)13-30)24-27-25(34-28-24)20-9-15(3)21(35-20)12-29(5)7-2/h8-10,19,30-31H,6-7,11-14H2,1-5H3,(H,26,32)/t19-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165376
PNG
(CHEMBL3800086)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)C)s1 |r|
Show InChI InChI=1S/C24H32N4O5S/c1-6-16-9-17(7-15(3)22(16)32-13-18(30)10-25-21(31)12-29)23-26-24(33-27-23)19-8-14(2)20(34-19)11-28(4)5/h7-9,18,29-30H,6,10-13H2,1-5H3,(H,25,31)/t18-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165377
PNG
(CHEMBL3797541)
Show SMILES CCc1cc(ccc1CN1CCCC1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C29H38N4O5/c1-4-20-13-22(8-9-23(20)16-33-10-6-7-11-33)29-31-28(32-38-29)24-12-19(3)27(21(5-2)14-24)37-18-25(35)15-30-26(36)17-34/h8-9,12-14,25,34-35H,4-7,10-11,15-18H2,1-3H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165378
PNG
(CHEMBL3797596)
Show SMILES CCN(CC)Cc1ccc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-6-20-13-22(10-11-23(20)16-33(8-3)9-4)29-31-28(32-38-29)24-12-19(5)27(21(7-2)14-24)37-18-25(35)15-30-26(36)17-34/h10-14,25,34-35H,6-9,15-18H2,1-5H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165379
PNG
(CHEMBL3799718)
Show SMILES CCN(C)Cc1ccc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-19-12-21(9-10-22(19)15-32(5)8-3)28-30-27(31-37-28)23-11-18(4)26(20(7-2)13-23)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/t24-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165380
PNG
(CHEMBL3799916)
Show SMILES CCc1cc(ccc1CN(C)C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-6-18-11-20(8-9-21(18)14-31(4)5)27-29-26(30-36-27)22-10-17(3)25(19(7-2)12-22)35-16-23(33)13-28-24(34)15-32/h8-12,23,32-33H,6-7,13-16H2,1-5H3,(H,28,34)/t23-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165381
PNG
(CHEMBL3799690)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)C)cc1C |r|
Show InChI InChI=1S/C26H34N4O5/c1-6-19-11-20(10-17(3)24(19)34-15-21(32)12-27-23(33)14-31)25-28-26(35-29-25)22-8-7-18(9-16(22)2)13-30(4)5/h7-11,21,31-32H,6,12-15H2,1-5H3,(H,27,33)/t21-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165382
PNG
(CHEMBL3800093)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-7-19-11-20(10-18(4)25(19)35-15-22(33)12-28-24(34)14-32)26-29-27(36-30-26)21-8-16(2)23(13-31(5)6)17(3)9-21/h8-11,22,32-33H,7,12-15H2,1-6H3,(H,28,34)/t22-/m0/s1
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n/an/an/an/a 69n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165383
PNG
(CHEMBL3800203)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CNC)cc1 |r|
Show InChI InChI=1S/C24H30N4O5/c1-4-17-10-19(9-15(2)22(17)32-14-20(30)12-26-21(31)13-29)23-27-24(33-28-23)18-7-5-16(6-8-18)11-25-3/h5-10,20,25,29-30H,4,11-14H2,1-3H3,(H,26,31)/t20-/m0/s1
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n/an/an/an/a 2.09E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165384
PNG
(CHEMBL3800535)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)C)cc1 |r|
Show InChI InChI=1S/C25H32N4O5/c1-5-18-11-20(10-16(2)23(18)33-15-21(31)12-26-22(32)14-30)24-27-25(34-28-24)19-8-6-17(7-9-19)13-29(3)4/h6-11,21,30-31H,5,12-15H2,1-4H3,(H,26,32)/t21-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165385
PNG
(CHEMBL3797256)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CNCC(C)C)c(C)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-20-11-23(10-19(5)26(20)36-16-24(34)14-30-25(35)15-33)27-31-28(37-32-27)21-7-8-22(18(4)9-21)13-29-12-17(2)3/h7-11,17,24,29,33-34H,6,12-16H2,1-5H3,(H,30,35)/t24-/m0/s1
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n/an/an/an/a 270n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165386
PNG
(CHEMBL3800230)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN2CCCC2)c(C)c1 |r|
Show InChI InChI=1S/C28H36N4O5/c1-4-20-13-23(12-19(3)26(20)36-17-24(34)14-29-25(35)16-33)27-30-28(37-31-27)21-7-8-22(18(2)11-21)15-32-9-5-6-10-32/h7-8,11-13,24,33-34H,4-6,9-10,14-17H2,1-3H3,(H,29,35)/t24-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165387
PNG
(CHEMBL3797436)
Show SMILES CCN(CC)Cc1ccc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-20-13-23(12-19(5)26(20)36-17-24(34)14-29-25(35)16-33)27-30-28(37-31-27)21-9-10-22(18(4)11-21)15-32(7-2)8-3/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/t24-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165388
PNG
(CHEMBL3799260)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)CC(C)C)c(C)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-7-21-12-24(11-20(5)27(21)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)22-8-9-23(19(4)10-22)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165389
PNG
(CHEMBL3798068)
Show SMILES CCCCN(C)Cc1ccc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-6-8-11-33(5)16-23-10-9-22(12-19(23)3)29-31-28(32-38-29)24-13-20(4)27(21(7-2)14-24)37-18-25(35)15-30-26(36)17-34/h9-10,12-14,25,34-35H,6-8,11,15-18H2,1-5H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165390
PNG
(CHEMBL3798876)
Show SMILES CCN(C)Cc1ccc(cc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-6-19-12-22(11-18(4)25(19)35-16-23(33)13-28-24(34)15-32)26-29-27(36-30-26)20-8-9-21(17(3)10-20)14-31(5)7-2/h8-12,23,32-33H,6-7,13-16H2,1-5H3,(H,28,34)/t23-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165391
PNG
(CHEMBL3798420)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CN(C)C)c(C)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-6-18-11-21(10-17(3)24(18)34-15-22(32)12-27-23(33)14-31)25-28-26(35-29-25)19-7-8-20(13-30(4)5)16(2)9-19/h7-11,22,31-32H,6,12-15H2,1-5H3,(H,27,33)/t22-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165392
PNG
(CHEMBL3798181)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CN(C)CC(C)C)ccc1C |r|
Show InChI InChI=1S/C29H40N4O5/c1-7-22-12-23(10-20(5)27(22)37-17-24(35)13-30-26(36)16-34)28-31-29(38-32-28)25-11-21(9-8-19(25)4)15-33(6)14-18(2)3/h8-12,18,24,34-35H,7,13-17H2,1-6H3,(H,30,36)/t24-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165393
PNG
(CHEMBL3799658)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C)c(CNCC(C)C)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-20-10-22(9-19(5)26(20)36-16-24(34)14-30-25(35)15-33)27-31-28(37-32-27)21-8-7-18(4)23(11-21)13-29-12-17(2)3/h7-11,17,24,29,33-34H,6,12-16H2,1-5H3,(H,30,35)/t24-/m0/s1
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n/an/an/an/a 2.35E+3n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165394
PNG
(CHEMBL3797452)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C)c(CN(C)CC(C)C)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-7-21-11-23(10-20(5)27(21)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)22-9-8-19(4)24(12-22)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 97n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165395
PNG
(CHEMBL3798722)
Show SMILES CCCCN(C)Cc1cc(ccc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-6-8-11-33(5)16-24-14-22(10-9-19(24)3)29-31-28(32-38-29)23-12-20(4)27(21(7-2)13-23)37-18-25(35)15-30-26(36)17-34/h9-10,12-14,25,34-35H,6-8,11,15-18H2,1-5H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165396
PNG
(CHEMBL3798148)
Show SMILES CCCN(C)Cc1cc(ccc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-10-32(5)15-23-13-21(9-8-18(23)3)28-30-27(31-37-28)22-11-19(4)26(20(7-2)12-22)36-17-24(34)14-29-25(35)16-33/h8-9,11-13,24,33-34H,6-7,10,14-17H2,1-5H3,(H,29,35)/t24-/m0/s1
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n/an/an/an/a 305n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165397
PNG
(CHEMBL3798098)
Show SMILES CCN(C)Cc1cc(ccc1C)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-6-19-11-21(10-18(4)25(19)35-16-23(33)13-28-24(34)15-32)26-29-27(36-30-26)20-9-8-17(3)22(12-20)14-31(5)7-2/h8-12,23,32-33H,6-7,13-16H2,1-5H3,(H,28,34)/t23-/m0/s1
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n/an/an/an/a 285n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165398
PNG
(CHEMBL3797410)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(C)c(CN(C)C)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-6-18-10-20(9-17(3)24(18)34-15-22(32)12-27-23(33)14-31)25-28-26(35-29-25)19-8-7-16(2)21(11-19)13-30(4)5/h7-11,22,31-32H,6,12-15H2,1-5H3,(H,27,33)/t22-/m0/s1
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n/an/an/an/a 385n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165399
PNG
(CHEMBL3797853)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cccc(CNCC(C)C)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-5-20-11-22(9-18(4)25(20)35-16-23(33)14-29-24(34)15-32)26-30-27(36-31-26)21-8-6-7-19(10-21)13-28-12-17(2)3/h6-11,17,23,28,32-33H,5,12-16H2,1-4H3,(H,29,34)/t23-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165400
PNG
(CHEMBL3799112)
Show SMILES CCCNCc1cccc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-4-9-27-13-18-7-6-8-20(11-18)26-29-25(30-35-26)21-10-17(3)24(19(5-2)12-21)34-16-22(32)14-28-23(33)15-31/h6-8,10-12,22,27,31-32H,4-5,9,13-16H2,1-3H3,(H,28,33)/t22-/m0/s1
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n/an/an/an/a 305n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165401
PNG
(CHEMBL3798229)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cccc(CNC)c1 |r|
Show InChI InChI=1S/C24H30N4O5/c1-4-17-10-19(8-15(2)22(17)32-14-20(30)12-26-21(31)13-29)23-27-24(33-28-23)18-7-5-6-16(9-18)11-25-3/h5-10,20,25,29-30H,4,11-14H2,1-3H3,(H,26,31)/t20-/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165402
PNG
(CHEMBL3797802)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(CNCC(C)C)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-21-11-22(9-19(5)26(21)36-16-24(34)14-30-25(35)15-33)27-31-28(37-32-27)23-8-18(4)7-20(10-23)13-29-12-17(2)3/h7-11,17,24,29,33-34H,6,12-16H2,1-5H3,(H,30,35)/t24-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165403
PNG
(CHEMBL3799355)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(CN(C)CC(C)C)cc(c1)C(C)C |r|
Show InChI InChI=1S/C31H44N4O5/c1-8-23-12-25(9-21(6)29(23)39-18-27(37)14-32-28(38)17-36)30-33-31(40-34-30)26-11-22(10-24(13-26)20(4)5)16-35(7)15-19(2)3/h9-13,19-20,27,36-37H,8,14-18H2,1-7H3,(H,32,38)/t27-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165404
PNG
(CHEMBL3800604)
Show SMILES CCCc1cc(CN(C)CC(C)C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C31H44N4O5/c1-7-9-22-11-23(17-35(6)16-20(3)4)13-26(12-22)31-33-30(34-40-31)25-10-21(5)29(24(8-2)14-25)39-19-27(37)15-32-28(38)18-36/h10-14,20,27,36-37H,7-9,15-19H2,1-6H3,(H,32,38)/t27-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165405
PNG
(CHEMBL3799888)
Show SMILES CCc1cc(CN(C)CC(C)C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C30H42N4O5/c1-7-21-10-22(16-34(6)15-19(3)4)12-25(11-21)30-32-29(33-39-30)24-9-20(5)28(23(8-2)13-24)38-18-26(36)14-31-27(37)17-35/h9-13,19,26,35-36H,7-8,14-18H2,1-6H3,(H,31,37)/t26-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165406
PNG
(CHEMBL3799686)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(CN(C)CC(C)C)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-7-22-12-23(10-20(5)27(22)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)24-9-19(4)8-21(11-24)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165407
PNG
(CHEMBL3799086)
Show SMILES CCCCN(C)Cc1cc(C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C29H40N4O5/c1-6-8-9-33(5)16-21-10-19(3)11-24(13-21)29-31-28(32-38-29)23-12-20(4)27(22(7-2)14-23)37-18-25(35)15-30-26(36)17-34/h10-14,25,34-35H,6-9,15-18H2,1-5H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165408
PNG
(CHEMBL3798240)
Show SMILES CCCN(C)Cc1cc(C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C28H38N4O5/c1-6-8-32(5)15-20-9-18(3)10-23(12-20)28-30-27(31-37-28)22-11-19(4)26(21(7-2)13-22)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/t24-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165409
PNG
(CHEMBL3799748)
Show SMILES CCN(C)Cc1cc(C)cc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C27H36N4O5/c1-6-20-12-21(10-18(4)25(20)35-16-23(33)13-28-24(34)15-32)26-29-27(36-30-26)22-9-17(3)8-19(11-22)14-31(5)7-2/h8-12,23,32-33H,6-7,13-16H2,1-5H3,(H,28,34)/t23-/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165410
PNG
(CHEMBL3798218)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(CN(C)C)c1 |r|
Show InChI InChI=1S/C26H34N4O5/c1-6-19-11-20(9-17(3)24(19)34-15-22(32)12-27-23(33)14-31)25-28-26(35-29-25)21-8-16(2)7-18(10-21)13-30(4)5/h7-11,22,31-32H,6,12-15H2,1-5H3,(H,27,33)/t22-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165411
PNG
(CHEMBL3799964)
Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN2CCCC2)c1 |r|
Show InChI InChI=1S/C27H35N5O5/c1-4-19-11-20(9-17(2)25(19)36-16-23(34)13-28-24(35)15-33)26-30-27(37-31-26)21-10-18(3)29-22(12-21)14-32-7-5-6-8-32/h9-12,23,33-34H,4-8,13-16H2,1-3H3,(H,28,35)/t23-/m0/s1
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n/an/an/an/a 95n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50165412
PNG
(CHEMBL3799148)
Show SMILES CCCCN(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r|
Show InChI InChI=1S/C28H39N5O5/c1-6-8-9-33(5)15-23-13-22(11-19(4)30-23)28-31-27(32-38-28)21-10-18(3)26(20(7-2)12-21)37-17-24(35)14-29-25(36)16-34/h10-13,24,34-35H,6-9,14-17H2,1-5H3,(H,29,36)/t24-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...

Eur J Med Chem 116: 222-238 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.048
BindingDB Entry DOI: 10.7270/Q2ST7RRN
More data for this
Ligand-Target Pair
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