Found 18 hits of ec50 data for polymerid = 50004875 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | PDB
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| n/a | n/a | n/a | n/a | 0.0286 | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50063864
(CHEMBL3403619 | US10676467, Compound TZ 50 13)Show SMILES OC(=O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 Show InChI InChI=1S/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) | PDB
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| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/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 |
Bioorg Med Chem Lett 25: 659-63 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.089
BindingDB Entry DOI: 10.7270/Q25T3N5P |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50041983
(CHEMBL3359523)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/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-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1334-9 (2014)
Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50041982
(CHEMBL3359522)Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C#N |r| Show InChI InChI=1S/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-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.0720 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1334-9 (2014)
Article DOI: 10.1021/ml500422m
BindingDB Entry DOI: 10.7270/Q2XK8H6S |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 2: 368-372 (2011)
Article DOI: 10.1021/ml100301k
BindingDB Entry DOI: 10.7270/Q24T6JTS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/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 |
Eur J Med Chem 51: 92-8 (2012)
Article DOI: 10.1016/j.ejmech.2012.02.022
BindingDB Entry DOI: 10.7270/Q2CN74CT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM197654
(US9216972, 7)Show SMILES OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1 Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)20-21(15-4-2-1-3-5-15)30-36-24(20)23-19-9-7-16-10-14(6-8-18(16)22(19)31-35-23)11-32-12-17(13-32)25(33)34/h1-6,8,10,17H,7,9,11-13H2,(H,33,34) | PDB
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TBA
| Assay Description
Agonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid sci... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q24X5CD0 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50041691
(CHEMBL3358920 | US11149292, Compound (R)-2-(7-(4-c...)Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay |
ACS Med Chem Lett 5: 1313-7 (2014)
Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50357764
(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) | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/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... |
Bioorg Med Chem Lett 21: 6013-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50357781
(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) | PDB
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| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/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... |
Bioorg Med Chem Lett 21: 6013-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.110
BindingDB Entry DOI: 10.7270/Q24T6JSB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386853
(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) | PDB
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386853
(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) | PDB
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50364607
(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) | PDB
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| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/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 |
Eur J Med Chem 51: 92-8 (2012)
Article DOI: 10.1016/j.ejmech.2012.02.022
BindingDB Entry DOI: 10.7270/Q2CN74CT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50363937
(CHEMBL1951588)Show SMILES Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(O)(O)=O)n2C)cc1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/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 |
Eur J Med Chem 51: 92-8 (2012)
Article DOI: 10.1016/j.ejmech.2012.02.022
BindingDB Entry DOI: 10.7270/Q2CN74CT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50363937
(CHEMBL1951588)Show SMILES Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(O)(O)=O)n2C)cc1 |r| 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 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 2: 368-372 (2011)
Article DOI: 10.1021/ml100301k
BindingDB Entry DOI: 10.7270/Q24T6JTS |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386859
(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) | PDB
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Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50386859
(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) | PDB
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| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay |
Bioorg Med Chem Lett 22: 4404-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.129
BindingDB Entry DOI: 10.7270/Q2FJ2HVB |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50445387
(CHEMBL3105479)Show SMILES CCc1cc(cc(C)c1CCC(O)=O)-c1noc(n1)-c1sc(C)c2[C@H]3[C@@H](Cc12)C3(C)C |r| 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 | PDB
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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 [... |
J Med Chem 56: 9737-55 (2014)
Article DOI: 10.1021/jm4014373
BindingDB Entry DOI: 10.7270/Q2PN9731 |
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Ligand-Target Pair | |
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