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Compile Data Set for Download or QSAR

Found 16 hits of ec50 data for polymerid = 50004875   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50063864
PNG
(CHEMBL3403619)
Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H27F3N2O3/c27-26(28,29)21-11-15(5-7-18(21)16-3-1-2-4-16)14-34-17-6-8-22-20(12-17)19-9-10-30-23(13-24(32)33)25(19)31-22/h5-8,11-12,16,23,30-31H,1-4,9-10,13-14H2,(H,32,33)
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n/an/an/an/a 0.0400n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50041983
PNG
(CHEMBL3359523)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F
Show InChI InChI=1/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/s2
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n/an/an/an/a 0.0500n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50041982
PNG
(CHEMBL3359522)
Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N
Show InChI InChI=1/C24H23ClN2O4/c1-14(2)31-21-6-3-15(9-17(21)12-26)13-30-18-4-5-20-19(11-18)23(25)24-16(10-22(28)29)7-8-27(20)24/h3-6,9,11,14,16H,7-8,10,13H2,1-2H3,(H,28,29)/t16-/s2
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n/an/an/an/a 0.0720n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 0.100n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 0.290n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM23165
PNG
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)
Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
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n/an/an/an/a 0.290n/an/an/an/a


TBA

Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/an/an/a 0.320n/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


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



Arena Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50357781
PNG
(CHEMBL1916559)
Show SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)
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n/an/an/an/a 1.30n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50364607
PNG
(CHEMBL1951304)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)sc1-c1noc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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n/an/an/an/a 1.5n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50363937
PNG
(CHEMBL1951588)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(O)(O)=O)n2C)cc1
Show InChI InChI=1S/C21H31N2O5P/c1-16-7-9-17(10-8-16)5-4-6-20(24)19-12-11-18(23(19)3)13-14-21(2,22)15-28-29(25,26)27/h7-12H,4-6,13-15,22H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50363937
PNG
(CHEMBL1951588)
Show SMILES Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(O)(O)=O)n2C)cc1
Show InChI InChI=1S/C21H31N2O5P/c1-16-7-9-17(10-8-16)5-4-6-20(24)19-12-11-18(23(19)3)13-14-21(2,22)15-28-29(25,26)27/h7-12H,4-6,13-15,22H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386853
PNG
(CHEMBL2048287)
Show SMILES OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-15-6-11(10-27)5-14(7-15)22-29-21(30-34-22)13-2-4-18-17(8-13)16-3-1-12(9-19(31)32)20(16)28-18/h2,4-8,12,28H,1,3,9H2,(H,31,32)
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n/an/an/an/a 1.80n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50386859
PNG
(CHEMBL2048293)
Show SMILES OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Show InChI InChI=1S/C23H15F3N4O4/c24-23(25,26)33-17-6-12(11-27)5-16(8-17)22-28-21(29-34-22)14-1-2-18-15(7-14)9-19-13(10-20(31)32)3-4-30(18)19/h1-2,5-9,13H,3-4,10H2,(H,31,32)
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n/an/an/an/a 3.40n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Rattus norvegicus)
BDBM50445387
PNG
(CHEMBL3105479)
Show SMILES CCc1cc(cc(C)c1CCC(O)=O)-c1noc(n1)-c1sc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
Show InChI InChI=1S/C25H28N2O3S/c1-6-14-10-15(9-12(2)16(14)7-8-19(28)29)23-26-24(30-27-23)22-17-11-18-21(25(18,4)5)20(17)13(3)31-22/h9-10,18,21H,6-8,11H2,1-5H3,(H,28,29)/t18-,21-/m1/s1
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n/an/an/an/a 4.40n/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [...


Citation and Details
More data for this
Ligand-Target Pair