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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50045293   
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))		BDBM50055524
PNG
(CHEMBL3341923)
Show SMILES CCc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C22H27N2O6P/c1-2-16-3-9-19(10-4-16)21-24-20(13-29-21)18-7-5-17(6-8-18)11-12-22(23,14-25)15-30-31(26,27)28/h3-10,13,25H,2,11-12,14-15,23H2,1H3,(H2,26,27,28)
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n/an/an/an/a 25n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055525
PNG
(CHEMBL3341922)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C21H22F3N2O7P/c22-21(23,24)33-17-7-5-16(6-8-17)19-26-18(11-31-19)15-3-1-14(2-4-15)9-10-20(25,12-27)13-32-34(28,29)30/h1-8,11,27H,9-10,12-13,25H2,(H2,28,29,30)
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n/an/an/an/a 74n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055526
PNG
(CHEMBL3341921)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(cc1)C(F)(F)F)COP(O)(O)=O
Show InChI InChI=1S/C21H22F3N2O6P/c22-21(23,24)17-7-5-16(6-8-17)19-26-18(11-31-19)15-3-1-14(2-4-15)9-10-20(25,12-27)13-32-33(28,29)30/h1-8,11,27H,9-10,12-13,25H2,(H2,28,29,30)
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n/an/an/an/a 11n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055527
PNG
(CHEMBL3341920)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(Cl)cc1)COP(O)(O)=O
Show InChI InChI=1S/C20H22ClN2O6P/c21-17-7-5-16(6-8-17)19-23-18(11-28-19)15-3-1-14(2-4-15)9-10-20(22,12-24)13-29-30(25,26)27/h1-8,11,24H,9-10,12-13,22H2,(H2,25,26,27)
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n/an/an/an/a 9.10n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055528
PNG
(CHEMBL3341919)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C20H22FN2O6P/c21-17-7-5-16(6-8-17)19-23-18(11-28-19)15-3-1-14(2-4-15)9-10-20(22,12-24)13-29-30(25,26)27/h1-8,11,24H,9-10,12-13,22H2,(H2,25,26,27)
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n/an/an/an/a 16n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055529
PNG
(CHEMBL3341918)
Show SMILES COc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H25N2O7P/c1-28-18-8-6-17(7-9-18)20-23-19(12-29-20)16-4-2-15(3-5-16)10-11-21(22,13-24)14-30-31(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
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n/an/an/an/a 7.60n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055530
PNG
(CHEMBL3341917)
Show SMILES Cc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H25N2O6P/c1-15-2-6-18(7-3-15)20-23-19(12-28-20)17-8-4-16(5-9-17)10-11-21(22,13-24)14-29-30(25,26)27/h2-9,12,24H,10-11,13-14,22H2,1H3,(H2,25,26,27)
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n/an/an/an/a 13n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055531
PNG
(CHEMBL3341916)
Show SMILES CCCCCn1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C18H29N4O5P/c1-2-3-4-11-22-12-17(20-21-22)16-7-5-15(6-8-16)9-10-18(19,13-23)14-27-28(24,25)26/h5-8,12,23H,2-4,9-11,13-14,19H2,1H3,(H2,24,25,26)
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n/an/an/an/a 94n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055532
PNG
(CHEMBL3341915)
Show SMILES CCc1ccc(Cn2cc(nn2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C22H29N4O5P/c1-2-17-3-5-19(6-4-17)13-26-14-21(24-25-26)20-9-7-18(8-10-20)11-12-22(23,15-27)16-31-32(28,29)30/h3-10,14,27H,2,11-13,15-16,23H2,1H3,(H2,28,29,30)
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n/an/an/an/a 685n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055533
PNG
(CHEMBL3342015)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(F)(F)F)nn1)COP(O)(O)=O
Show InChI InChI=1S/C21H24F3N4O5P/c22-21(23,24)18-7-3-16(4-8-18)11-28-12-19(26-27-28)17-5-1-15(2-6-17)9-10-20(25,13-29)14-33-34(30,31)32/h1-8,12,29H,9-11,13-14,25H2,(H2,30,31,32)
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n/an/an/an/a 551n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055534
PNG
(CHEMBL3342014)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(Cl)cc2)nn1)COP(O)(O)=O
Show InChI InChI=1S/C20H24ClN4O5P/c21-18-7-3-16(4-8-18)11-25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-11,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a 630n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055535
PNG
(CHEMBL3342013)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1)COP(O)(O)=O
Show InChI InChI=1S/C20H24FN4O5P/c21-18-7-3-16(4-8-18)11-25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-11,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a 638n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055536
PNG
(CHEMBL3342012)
Show SMILES Cc1ccc(Cn2cc(nn2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C21H27N4O5P/c1-16-2-4-18(5-3-16)12-25-13-20(23-24-25)19-8-6-17(7-9-19)10-11-21(22,14-26)15-30-31(27,28)29/h2-9,13,26H,10-12,14-15,22H2,1H3,(H2,27,28,29)
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n/an/an/an/a 1.29E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055537
PNG
(CHEMBL3342011)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)C#N)COP(O)(O)=O
Show InChI InChI=1S/C20H22N5O5P/c21-11-16-3-7-18(8-4-16)25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-10,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a 257n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055538
PNG
(CHEMBL3342010)
Show SMILES CCCc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C22H29N4O5P/c1-2-3-17-6-10-20(11-7-17)26-14-21(24-25-26)19-8-4-18(5-9-19)12-13-22(23,15-27)16-31-32(28,29)30/h4-11,14,27H,2-3,12-13,15-16,23H2,1H3,(H2,28,29,30)
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n/an/an/an/a 19n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055539
PNG
(CHEMBL3342009)
Show SMILES CC(C)c1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C22H29N4O5P/c1-16(2)18-7-9-20(10-8-18)26-13-21(24-25-26)19-5-3-17(4-6-19)11-12-22(23,14-27)15-31-32(28,29)30/h3-10,13,16,27H,11-12,14-15,23H2,1-2H3,(H2,28,29,30)
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n/an/an/an/a 29n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055540
PNG
(CHEMBL3342008)
Show SMILES CCc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H27N4O5P/c1-2-16-5-9-19(10-6-16)25-13-20(23-24-25)18-7-3-17(4-8-18)11-12-21(22,14-26)15-30-31(27,28)29/h3-10,13,26H,2,11-12,14-15,22H2,1H3,(H2,27,28,29)
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n/an/an/an/a 53n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055541
PNG
(CHEMBL3342007)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C20H22F3N4O6P/c21-20(22,23)33-17-7-5-16(6-8-17)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-34(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)
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n/an/an/an/a 15n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055542
PNG
(CHEMBL3342006)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)COP(O)(O)=O
Show InChI InChI=1S/C20H22F3N4O5P/c21-20(22,23)16-5-7-17(8-6-16)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-33(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)
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n/an/an/an/a 22n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055543
PNG
(CHEMBL3342005)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(Cl)cc1)COP(O)(O)=O
Show InChI InChI=1S/C19H22ClN4O5P/c20-16-5-7-17(8-6-16)24-11-18(22-23-24)15-3-1-14(2-4-15)9-10-19(21,12-25)13-29-30(26,27)28/h1-8,11,25H,9-10,12-13,21H2,(H2,26,27,28)
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n/an/an/an/a 42n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055544
PNG
(CHEMBL3342004)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C19H22FN4O5P/c20-16-5-7-17(8-6-16)24-11-18(22-23-24)15-3-1-14(2-4-15)9-10-19(21,12-25)13-29-30(26,27)28/h1-8,11,25H,9-10,12-13,21H2,(H2,26,27,28)
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n/an/an/an/a 1.63E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055545
PNG
(CHEMBL3342003)
Show SMILES COc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C20H25N4O6P/c1-29-18-8-6-17(7-9-18)24-12-19(22-23-24)16-4-2-15(3-5-16)10-11-20(21,13-25)14-30-31(26,27)28/h2-9,12,25H,10-11,13-14,21H2,1H3,(H2,26,27,28)
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n/an/an/an/a 126n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055546
PNG
(CHEMBL3342002)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C20H25N4O5P/c1-15-2-8-18(9-3-15)24-12-19(22-23-24)17-6-4-16(5-7-17)10-11-20(21,13-25)14-29-30(26,27)28/h2-9,12,25H,10-11,13-14,21H2,1H3,(H2,26,27,28)
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n/an/an/an/a 111n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055547
PNG
(CHEMBL3341924)
Show SMILES CC(C)c1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C23H29N2O6P/c1-16(2)18-7-9-20(10-8-18)22-25-21(13-30-22)19-5-3-17(4-6-19)11-12-23(24,14-26)15-31-32(27,28)29/h3-10,13,16,26H,11-12,14-15,24H2,1-2H3,(H2,27,28,29)
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n/an/an/an/a 22n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055548
PNG
(CHEMBL3341925)
Show SMILES CCCc1ccc(cc1)-c1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C23H29N2O6P/c1-2-3-17-6-10-20(11-7-17)22-25-21(14-30-22)19-8-4-18(5-9-19)12-13-23(24,15-26)16-31-32(27,28)29/h4-11,14,26H,2-3,12-13,15-16,24H2,1H3,(H2,27,28,29)
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n/an/an/an/a 42n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055549
PNG
(CHEMBL3341926)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccc(cc1)C#N)COP(O)(O)=O
Show InChI InChI=1S/C21H22N3O6P/c22-11-16-3-7-18(8-4-16)20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-10,13-14,23H2,(H2,26,27,28)
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n/an/an/an/a 148n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055550
PNG
(CHEMBL3341927)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1ccco1)COP(O)(O)=O
Show InChI InChI=1S/C18H21N2O7P/c19-18(11-21,12-27-28(22,23)24)8-7-13-3-5-14(6-4-13)15-10-26-17(20-15)16-2-1-9-25-16/h1-6,9-10,21H,7-8,11-12,19H2,(H2,22,23,24)
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n/an/an/an/a 70n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055551
PNG
(CHEMBL3341928)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(n1)-c1cccs1)COP(O)(O)=O
Show InChI InChI=1S/C18H21N2O6PS/c19-18(11-21,12-26-27(22,23)24)8-7-13-3-5-14(6-4-13)15-10-25-17(20-15)16-2-1-9-28-16/h1-6,9-10,21H,7-8,11-12,19H2,(H2,22,23,24)
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n/an/an/an/a 49n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055552
PNG
(CHEMBL3341929)
Show SMILES Cc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C22H27N2O6P/c1-16-2-4-18(5-3-16)12-21-24-20(13-29-21)19-8-6-17(7-9-19)10-11-22(23,14-25)15-30-31(26,27)28/h2-9,13,25H,10-12,14-15,23H2,1H3,(H2,26,27,28)
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n/an/an/an/a 108n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055553
PNG
(CHEMBL3341930)
Show SMILES COc1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C22H27N2O7P/c1-29-19-8-4-17(5-9-19)12-21-24-20(13-30-21)18-6-2-16(3-7-18)10-11-22(23,14-25)15-31-32(26,27)28/h2-9,13,25H,10-12,14-15,23H2,1H3,(H2,26,27,28)
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n/an/an/an/a 26n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055554
PNG
(CHEMBL3341931)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(F)cc2)n1)COP(O)(O)=O
Show InChI InChI=1S/C21H24FN2O6P/c22-18-7-3-16(4-8-18)11-20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-11,13-14,23H2,(H2,26,27,28)
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n/an/an/an/a 55n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055555
PNG
(CHEMBL3341932)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(Cl)cc2)n1)COP(O)(O)=O
Show InChI InChI=1S/C21H24ClN2O6P/c22-18-7-3-16(4-8-18)11-20-24-19(12-29-20)17-5-1-15(2-6-17)9-10-21(23,13-25)14-30-31(26,27)28/h1-8,12,25H,9-11,13-14,23H2,(H2,26,27,28)
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n/an/an/an/a 18n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055556
PNG
(CHEMBL3341933)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1coc(Cc2ccc(cc2)C(F)(F)F)n1)COP(O)(O)=O
Show InChI InChI=1S/C22H24F3N2O6P/c23-22(24,25)18-7-3-16(4-8-18)11-20-27-19(12-32-20)17-5-1-15(2-6-17)9-10-21(26,13-28)14-33-34(29,30)31/h1-8,12,28H,9-11,13-14,26H2,(H2,29,30,31)
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n/an/an/an/a 343n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055557
PNG
(CHEMBL3341934)
Show SMILES CC(C)c1ccc(Cc2nc(co2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C24H31N2O6P/c1-17(2)20-7-5-19(6-8-20)13-23-26-22(14-31-23)21-9-3-18(4-10-21)11-12-24(25,15-27)16-32-33(28,29)30/h3-10,14,17,27H,11-13,15-16,25H2,1-2H3,(H2,28,29,30)
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n/an/an/an/a 154n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50055558
PNG
(CHEMBL3341935)
Show SMILES CCCCCc1nc(co1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H29N2O6P/c1-2-3-4-5-18-21-17(12-26-18)16-8-6-15(7-9-16)10-11-19(20,13-22)14-27-28(23,24)25/h6-9,12,22H,2-5,10-11,13-14,20H2,1H3,(H2,23,24,25)
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n/an/an/an/a 64n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM23163
PNG
(CHEMBL114606 | FTY720-phosphate, rac-2 | {2-amino-...)
Show SMILES CCCCCCCCc1ccc(CCC(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)
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n/an/an/an/a 9.10n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055546
PNG
(CHEMBL3342002)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C20H25N4O5P/c1-15-2-8-18(9-3-15)24-12-19(22-23-24)17-6-4-16(5-7-17)10-11-20(21,13-25)14-29-30(26,27)28/h2-9,12,25H,10-11,13-14,21H2,1H3,(H2,26,27,28)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055545
PNG
(CHEMBL3342003)
Show SMILES COc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C20H25N4O6P/c1-29-18-8-6-17(7-9-18)24-12-19(22-23-24)16-4-2-15(3-5-16)10-11-20(21,13-25)14-30-31(26,27)28/h2-9,12,25H,10-11,13-14,21H2,1H3,(H2,26,27,28)
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n/an/an/an/a 3.01E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055544
PNG
(CHEMBL3342004)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C19H22FN4O5P/c20-16-5-7-17(8-6-16)24-11-18(22-23-24)15-3-1-14(2-4-15)9-10-19(21,12-25)13-29-30(26,27)28/h1-8,11,25H,9-10,12-13,21H2,(H2,26,27,28)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055543
PNG
(CHEMBL3342005)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(Cl)cc1)COP(O)(O)=O
Show InChI InChI=1S/C19H22ClN4O5P/c20-16-5-7-17(8-6-16)24-11-18(22-23-24)15-3-1-14(2-4-15)9-10-19(21,12-25)13-29-30(26,27)28/h1-8,11,25H,9-10,12-13,21H2,(H2,26,27,28)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055542
PNG
(CHEMBL3342006)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F)COP(O)(O)=O
Show InChI InChI=1S/C20H22F3N4O5P/c21-20(22,23)16-5-7-17(8-6-16)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-33(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)
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n/an/an/an/a 616n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055541
PNG
(CHEMBL3342007)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(OC(F)(F)F)cc1)COP(O)(O)=O
Show InChI InChI=1S/C20H22F3N4O6P/c21-20(22,23)33-17-7-5-16(6-8-17)27-11-18(25-26-27)15-3-1-14(2-4-15)9-10-19(24,12-28)13-32-34(29,30)31/h1-8,11,28H,9-10,12-13,24H2,(H2,29,30,31)
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n/an/an/an/a 1.22E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055540
PNG
(CHEMBL3342008)
Show SMILES CCc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H27N4O5P/c1-2-16-5-9-19(10-6-16)25-13-20(23-24-25)18-7-3-17(4-8-18)11-12-21(22,14-26)15-30-31(27,28)29/h3-10,13,26H,2,11-12,14-15,22H2,1H3,(H2,27,28,29)
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n/an/an/an/a 1.91E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055539
PNG
(CHEMBL3342009)
Show SMILES CC(C)c1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C22H29N4O5P/c1-16(2)18-7-9-20(10-8-18)26-13-21(24-25-26)19-5-3-17(4-6-19)11-12-22(23,14-27)15-31-32(28,29)30/h3-10,13,16,27H,11-12,14-15,23H2,1-2H3,(H2,28,29,30)
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n/an/an/an/a 496n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055538
PNG
(CHEMBL3342010)
Show SMILES CCCc1ccc(cc1)-n1cc(nn1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C22H29N4O5P/c1-2-3-17-6-10-20(11-7-17)26-14-21(24-25-26)19-8-4-18(5-9-19)12-13-22(23,15-27)16-31-32(28,29)30/h4-11,14,27H,2-3,12-13,15-16,23H2,1H3,(H2,28,29,30)
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n/an/an/an/a 4.69E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055537
PNG
(CHEMBL3342011)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)C#N)COP(O)(O)=O
Show InChI InChI=1S/C20H22N5O5P/c21-11-16-3-7-18(8-4-16)25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-10,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055536
PNG
(CHEMBL3342012)
Show SMILES Cc1ccc(Cn2cc(nn2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C21H27N4O5P/c1-16-2-4-18(5-3-16)12-25-13-20(23-24-25)19-8-6-17(7-9-19)10-11-21(22,14-26)15-30-31(27,28)29/h2-9,13,26H,10-12,14-15,22H2,1H3,(H2,27,28,29)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055535
PNG
(CHEMBL3342013)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1)COP(O)(O)=O
Show InChI InChI=1S/C20H24FN4O5P/c21-18-7-3-16(4-8-18)11-25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-11,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055534
PNG
(CHEMBL3342014)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(Cl)cc2)nn1)COP(O)(O)=O
Show InChI InChI=1S/C20H24ClN4O5P/c21-18-7-3-16(4-8-18)11-25-12-19(23-24-25)17-5-1-15(2-6-17)9-10-20(22,13-26)14-30-31(27,28)29/h1-8,12,26H,9-11,13-14,22H2,(H2,27,28,29)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))		BDBM50055533
PNG
(CHEMBL3342015)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(F)(F)F)nn1)COP(O)(O)=O
Show InChI InChI=1S/C21H24F3N4O5P/c22-21(23,24)18-7-3-16(4-8-18)11-28-12-19(26-27-28)17-5-1-15(2-6-17)9-10-20(25,13-29)14-33-34(30,31)32/h1-8,12,29H,9-11,13-14,25H2,(H2,30,31,32)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay

Eur J Med Chem 85: 1-15 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.081
BindingDB Entry DOI: 10.7270/Q2X92D0T
More data for this
Ligand-Target Pair
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