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PubMed code 15615513

Compile data set for download or QSAR
Found 129 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
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/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(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/a 0.770n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148403
PNG
((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...)
Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O
Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148403
PNG
((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...)
Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O
Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)
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n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148439
PNG
(3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...)
Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50152329
PNG
(1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50152329
PNG
(1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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n/an/a 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/a 8.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50148439
PNG
(3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...)
Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158342
PNG
(1-(4-nonylbenzyl)azetidine-3-carboxylic acid | CHE...)
Show SMILES CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50148403
PNG
((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...)
Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O
Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(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/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158342
PNG
(1-(4-nonylbenzyl)azetidine-3-carboxylic acid | CHE...)
Show SMILES CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158343
PNG
(1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid | C...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-15-14-20(17-22)21(23)24/h10-13,20H,2-9,14-17H2,1H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158352
PNG
(3-phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158343
PNG
(1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid | C...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-15-14-20(17-22)21(23)24/h10-13,20H,2-9,14-17H2,1H3,(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50152329
PNG
(1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50148439
PNG
(3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...)
Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50148403
PNG
((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...)
Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O
Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50152329
PNG
(1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148403
PNG
((3-Tetradecylamino-propyl)-phosphonic acid | 3-(te...)
Show SMILES CCCCCCCCCCCCCCNCCCP(O)(O)=O
Show InChI InChI=1S/C17H38NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-22(19,20)21/h18H,2-17H2,1H3,(H2,19,20,21)
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n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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n/an/a 640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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n/an/a 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(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/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158343
PNG
(1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid | C...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-15-14-20(17-22)21(23)24/h10-13,20H,2-9,14-17H2,1H3,(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148439
PNG
(3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...)
Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158343
PNG
(1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid | C...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-15-14-20(17-22)21(23)24/h10-13,20H,2-9,14-17H2,1H3,(H,23,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158342
PNG
(1-(4-nonylbenzyl)azetidine-3-carboxylic acid | CHE...)
Show SMILES CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158342
PNG
(1-(4-nonylbenzyl)azetidine-3-carboxylic acid | CHE...)
Show SMILES CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148439
PNG
(3-(3-bromo-5-methoxy-4-(octyloxy)benzylamino)propy...)
Show SMILES CCCCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33BrNO5P/c1-3-4-5-6-7-8-11-26-19-17(20)13-16(14-18(19)25-2)15-21-10-9-12-27(22,23)24/h13-14,21H,3-12,15H2,1-2H3,(H2,22,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158352
PNG
(3-phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158336
PNG
(2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-A...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Show InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158352
PNG
(3-phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50152329
PNG
(1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid | ...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
Show InChI InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158352
PNG
(3-phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158343
PNG
(1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid | C...)
Show SMILES CCCCCCCCCc1ccc(CN2CCC(C2)C(O)=O)cc1
Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-15-14-20(17-22)21(23)24/h10-13,20H,2-9,14-17H2,1H3,(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158342
PNG
(1-(4-nonylbenzyl)azetidine-3-carboxylic acid | CHE...)
Show SMILES CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50158352
PNG
(3-phenyl-5-(4-phenyl-5-(trifluoromethyl)thiophen-2...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C19H11F3N2OS/c20-19(21,22)16-14(12-7-3-1-4-8-12)11-15(26-16)18-23-17(24-25-18)13-9-5-2-6-10-13/h1-11H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158345
PNG
(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158337
PNG
(3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...)
Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158350
PNG
(1-(3-methoxy-4-((4-phenyl-5-(trifluoromethyl)thiop...)
Show SMILES COc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO4S/c1-31-21-9-15(11-28-12-17(13-28)23(29)30)7-8-20(21)32-14-18-10-19(16-5-3-2-4-6-16)22(33-18)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158334
PNG
(1-(3-methyl-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C24H22F3NO3S/c1-15-9-16(11-28-12-18(13-28)23(29)30)7-8-21(15)31-14-19-10-20(17-5-3-2-4-6-17)22(32-19)24(25,26)27/h2-10,18H,11-14H2,1H3,(H,29,30)
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n/an/an/an/a 0.800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158338
PNG
(1-(3,5-dimethyl-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES Cc1cc(CN2CC(C2)C(O)=O)cc(C)c1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-15-8-17(11-29-12-19(13-29)24(30)31)9-16(2)22(15)32-14-20-10-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-10,19H,11-14H2,1-2H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
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 0.300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158341
PNG
(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158346
PNG
(1-(3-fluoro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(F)c2)C1
Show InChI InChI=1S/C23H19F4NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/an/an/a 1.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158335
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29)
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n/an/an/an/a 0.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158351
PNG
(26-tert-butyl-13-(2,4,4-trimethylpentan-2-yl)-3,6,...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C24H19F6NO3S/c25-23(26,27)19-8-14(10-31-11-16(12-31)22(32)33)6-7-20(19)34-13-17-9-18(15-4-2-1-3-5-15)21(35-17)24(28,29)30/h1-9,16H,10-13H2,(H,32,33)
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n/an/an/an/a 5.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158340
PNG
(1-(3,5-dichloro-4-((4-phenyl-5-(trifluoromethyl)th...)
Show SMILES OC(=O)C1CN(Cc2cc(Cl)c(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H18Cl2F3NO3S/c24-18-6-13(9-29-10-15(11-29)22(30)31)7-19(25)20(18)32-12-16-8-17(14-4-2-1-3-5-14)21(33-16)23(26,27)28/h1-8,15H,9-12H2,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 17n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158344
PNG
(1-(3-bromo-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Br)c2)C1
Show InChI InChI=1S/C23H19BrF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
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n/an/an/an/a 3.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158339
PNG
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)
Show SMILES OC(=O)C1CCN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1
Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)22-21(17-4-2-1-3-5-17)12-20(32-22)15-31-19-8-6-16(7-9-19)13-28-11-10-18(14-28)23(29)30/h1-9,12,18H,10-11,13-15H2,(H,29,30)
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158347
PNG
(1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophe...)
Show SMILES CCc1cc(CN2CC(C2)C(O)=O)ccc1OCc1cc(c(s1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50158349
PNG
(1-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl...)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(c(s2)C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C24H18F3N3O3S/c25-24(26,27)20-18(15-4-2-1-3-5-15)10-19(34-20)22-28-21(29-33-22)16-8-6-14(7-9-16)11-30-12-17(13-30)23(31)32/h1-10,17H,11-13H2,(H,31,32)
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n/an/an/an/a 0.200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6662-5 (2004)


Article DOI: 10.1021/jm0492507
BindingDB Entry DOI: 10.7270/Q2TQ611F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%