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PubMed code 20337461

Compile data set for download or QSAR
Found 40 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


(Homo sapiens (Human))
BDBM50315811
PNG
(2-Amino-4-(3-chloro-4'-phenoxybiphenyl-4-yl)-2-(ph...)
Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C23H25ClNO6P/c24-22-14-19(17-8-10-21(11-9-17)31-20-4-2-1-3-5-20)7-6-18(22)12-13-23(25,15-26)16-30-32(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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n/an/an/an/a 4.70n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315809
PNG
(2-Amino-4-(4'-butoxy-3'-chlorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(cc1Cl)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29ClNO6P/c1-2-3-12-28-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315806
PNG
(2-Amino-4-(4'-butoxy-2'-fluorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(c(F)c1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29FNO6P/c1-2-3-12-28-18-8-9-19(20(22)13-18)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a 51n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315812
PNG
(2-Amino-4-(4'-benzyloxy-3-chlorobiphenyl-4-yl)-2-(...)
Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(OCc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C24H27ClNO6P/c25-23-14-21(7-6-20(23)12-13-24(26,16-27)17-32-33(28,29)30)19-8-10-22(11-9-19)31-15-18-4-2-1-3-5-18/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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n/an/an/an/a 13n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315819
PNG
(2-Amino-4-[3-chloro-2'-fluoro-4'-(4-methylphenylth...)
Show SMILES Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C24H26ClFNO5PS/c1-16-2-6-19(7-3-16)34-20-8-9-21(23(26)13-20)18-5-4-17(22(25)12-18)10-11-24(27,14-28)15-32-33(29,30)31/h2-9,12-13,28H,10-11,14-15,27H2,1H3,(H2,29,30,31)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315821
PNG
(2-Amino-4-(4'-butoxy-3-chlorobiphenyl-4-yl)-2-(pho...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c1
Show InChI InChI=1S/C21H29ClNO6P/c1-2-3-12-28-19-8-6-16(7-9-19)18-5-4-17(20(22)13-18)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a 0.620n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315805
PNG
(2-amino-4-(4'-butoxybiphenyl-4-yl)-2-(hydroxymethy...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H30NO6P/c1-2-3-14-27-20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-21(22,15-23)16-28-29(24,25)26/h4-11,23H,2-3,12-16,22H2,1H3,(H2,24,25,26)
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n/an/an/an/a 0.810n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315806
PNG
(2-Amino-4-(4'-butoxy-2'-fluorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(c(F)c1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29FNO6P/c1-2-3-12-28-18-8-9-19(20(22)13-18)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a 0.530n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315815
PNG
(2-Amino-4-(4'-benzylthio-3-chlorobiphenyl-4-yl)-2-...)
Show SMILES CP(O)(=O)OCC(N)(CO)CCc1ccc(cc1Cl)-c1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C25H29ClNO4PS/c1-32(29,30)31-18-25(27,17-28)14-13-21-7-8-22(15-24(21)26)20-9-11-23(12-10-20)33-16-19-5-3-2-4-6-19/h2-12,15,28H,13-14,16-18,27H2,1H3,(H,29,30)
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n/an/an/an/a 2.10n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315807
PNG
(2-amino-4-(4'-butoxy-2',5'-difluorobiphenyl-4-yl)-...)
Show SMILES CCCCOc1cc(F)c(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H28F2NO6P/c1-2-3-10-29-20-12-18(22)17(11-19(20)23)16-6-4-15(5-7-16)8-9-21(24,13-25)14-30-31(26,27)28/h4-7,11-12,25H,2-3,8-10,13-14,24H2,1H3,(H2,26,27,28)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315815
PNG
(2-Amino-4-(4'-benzylthio-3-chlorobiphenyl-4-yl)-2-...)
Show SMILES CP(O)(=O)OCC(N)(CO)CCc1ccc(cc1Cl)-c1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C25H29ClNO4PS/c1-32(29,30)31-18-25(27,17-28)14-13-21-7-8-22(15-24(21)26)20-9-11-23(12-10-20)33-16-19-5-3-2-4-6-19/h2-12,15,28H,13-14,16-18,27H2,1H3,(H,29,30)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315821
PNG
(2-Amino-4-(4'-butoxy-3-chlorobiphenyl-4-yl)-2-(pho...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c1
Show InChI InChI=1S/C21H29ClNO6P/c1-2-3-12-28-19-8-6-16(7-9-19)18-5-4-17(20(22)13-18)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(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 0.350n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315804
PNG
(2-amino-4-(3-chloro-4'-pentylbiphenyl-4-yl)-2-(hyd...)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H31ClNO5P/c1-2-3-4-5-17-6-8-18(9-7-17)20-11-10-19(21(23)14-20)12-13-22(24,15-25)16-29-30(26,27)28/h6-11,14,25H,2-5,12-13,15-16,24H2,1H3,(H2,26,27,28)
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n/an/an/an/a 0.640n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315808
PNG
(2-Amino-4-(4'-butoxy-3'-fluorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29FNO6P/c1-2-3-12-28-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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n/an/an/an/a 1.30n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315814
PNG
(2-Amino-4-[2'-fluoro-4'-(4-methylphenoxy)biphenyl-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C24H28NO6P/c1-18-2-10-22(11-3-18)31-23-12-8-21(9-13-23)20-6-4-19(5-7-20)14-15-24(25,16-26)17-30-32(27,28)29/h2-13,26H,14-17,25H2,1H3,(H2,27,28,29)
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n/an/an/an/a 1.80n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315820
PNG
(2-Amino-4-(4'-benzylthio-2'-fluorobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(SCc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C24H27FNO5PS/c25-23-14-21(33-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-31-32(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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n/an/an/an/a 0.840n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315817
PNG
(2-Amino-4-[2'-fluoro-4'-(4-methylphenylthio)biphen...)
Show SMILES Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C24H27FNO5PS/c1-17-2-8-20(9-3-17)33-21-10-11-22(23(25)14-21)19-6-4-18(5-7-19)12-13-24(26,15-27)16-31-32(28,29)30/h2-11,14,27H,12-13,15-16,26H2,1H3,(H2,28,29,30)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315807
PNG
(2-amino-4-(4'-butoxy-2',5'-difluorobiphenyl-4-yl)-...)
Show SMILES CCCCOc1cc(F)c(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H28F2NO6P/c1-2-3-10-29-20-12-18(22)17(11-19(20)23)16-6-4-15(5-7-16)8-9-21(24,13-25)14-30-31(26,27)28/h4-7,11-12,25H,2-3,8-10,13-14,24H2,1H3,(H2,26,27,28)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315808
PNG
(2-Amino-4-(4'-butoxy-3'-fluorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(cc1F)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29FNO6P/c1-2-3-12-28-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315813
PNG
(2-Amino-4-(4'-benzyloxy-2'-fluorobiphenyl-4-yl)-2-...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(OCc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C24H27FNO6P/c25-23-14-21(31-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-32-33(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315816
PNG
(2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
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/an/an/a 12n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315812
PNG
(2-Amino-4-(4'-benzyloxy-3-chlorobiphenyl-4-yl)-2-(...)
Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(OCc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C24H27ClNO6P/c25-23-14-21(7-6-20(23)12-13-24(26,16-27)17-32-33(28,29)30)19-8-10-22(11-9-19)31-15-18-4-2-1-3-5-18/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315805
PNG
(2-amino-4-(4'-butoxybiphenyl-4-yl)-2-(hydroxymethy...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H30NO6P/c1-2-3-14-27-20-10-8-19(9-11-20)18-6-4-17(5-7-18)12-13-21(22,15-23)16-28-29(24,25)26/h4-11,23H,2-3,12-16,22H2,1H3,(H2,24,25,26)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315814
PNG
(2-Amino-4-[2'-fluoro-4'-(4-methylphenoxy)biphenyl-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C24H28NO6P/c1-18-2-10-22(11-3-18)31-23-12-8-21(9-13-23)20-6-4-19(5-7-20)14-15-24(25,16-26)17-30-32(27,28)29/h2-13,26H,14-17,25H2,1H3,(H2,27,28,29)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315820
PNG
(2-Amino-4-(4'-benzylthio-2'-fluorobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(SCc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C24H27FNO5PS/c25-23-14-21(33-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-31-32(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315803
PNG
(2-amino-4-(2-fluoro-4-pentylphenyl)-2-(hydroxymeth...)
Show SMILES CCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)c(F)c1
Show InChI InChI=1S/C16H27FNO5P/c1-2-3-4-5-13-6-7-14(15(17)10-13)8-9-16(18,11-19)12-23-24(20,21)22/h6-7,10,19H,2-5,8-9,11-12,18H2,1H3,(H2,20,21,22)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315810
PNG
(2-Amino-4-(4'-phenoxybiphenyl-4-yl)-2-(phosphorylo...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C23H26NO6P/c24-23(16-25,17-29-31(26,27)28)15-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-13,25H,14-17,24H2,(H2,26,27,28)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315816
PNG
(2-Amino-4-(2'-fluoro-4'-phenylthiobiphenyl-4-yl)-2...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Sc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315818
PNG
(2-Amino-4-[2'-fluoro-4'-(3-methylphenylthio)biphen...)
Show SMILES Cc1cccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)c1
Show InChI InChI=1S/C24H27FNO5PS/c1-17-3-2-4-20(13-17)33-21-9-10-22(23(25)14-21)19-7-5-18(6-8-19)11-12-24(26,15-27)16-31-32(28,29)30/h2-10,13-14,27H,11-12,15-16,26H2,1H3,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315811
PNG
(2-Amino-4-(3-chloro-4'-phenoxybiphenyl-4-yl)-2-(ph...)
Show SMILES NC(CO)(CCc1ccc(cc1Cl)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C23H25ClNO6P/c24-22-14-19(17-8-10-21(11-9-17)31-20-4-2-1-3-5-20)7-6-18(22)12-13-23(25,15-26)16-30-32(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315818
PNG
(2-Amino-4-[2'-fluoro-4'-(3-methylphenylthio)biphen...)
Show SMILES Cc1cccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)c1
Show InChI InChI=1S/C24H27FNO5PS/c1-17-3-2-4-20(13-17)33-21-9-10-22(23(25)14-21)19-7-5-18(6-8-19)11-12-24(26,15-27)16-31-32(28,29)30/h2-10,13-14,27H,11-12,15-16,26H2,1H3,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315809
PNG
(2-Amino-4-(4'-butoxy-3'-chlorobiphenyl-4-yl)-2-(ph...)
Show SMILES CCCCOc1ccc(cc1Cl)-c1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H29ClNO6P/c1-2-3-12-28-20-9-8-18(13-19(20)22)17-6-4-16(5-7-17)10-11-21(23,14-24)15-29-30(25,26)27/h4-9,13,24H,2-3,10-12,14-15,23H2,1H3,(H2,25,26,27)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315803
PNG
(2-amino-4-(2-fluoro-4-pentylphenyl)-2-(hydroxymeth...)
Show SMILES CCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)c(F)c1
Show InChI InChI=1S/C16H27FNO5P/c1-2-3-4-5-13-6-7-14(15(17)10-13)8-9-16(18,11-19)12-23-24(20,21)22/h6-7,10,19H,2-5,8-9,11-12,18H2,1H3,(H2,20,21,22)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315810
PNG
(2-Amino-4-(4'-phenoxybiphenyl-4-yl)-2-(phosphorylo...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(Oc2ccccc2)cc1)COP(O)(O)=O
Show InChI InChI=1S/C23H26NO6P/c24-23(16-25,17-29-31(26,27)28)15-14-18-6-8-19(9-7-18)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-13,25H,14-17,24H2,(H2,26,27,28)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315817
PNG
(2-Amino-4-[2'-fluoro-4'-(4-methylphenylthio)biphen...)
Show SMILES Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)cc2)cc1
Show InChI InChI=1S/C24H27FNO5PS/c1-17-2-8-20(9-3-17)33-21-10-11-22(23(25)14-21)19-6-4-18(5-7-19)12-13-24(26,15-27)16-31-32(28,29)30/h2-11,14,27H,12-13,15-16,26H2,1H3,(H2,28,29,30)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315819
PNG
(2-Amino-4-[3-chloro-2'-fluoro-4'-(4-methylphenylth...)
Show SMILES Cc1ccc(Sc2ccc(c(F)c2)-c2ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C24H26ClFNO5PS/c1-16-2-6-19(7-3-16)34-20-8-9-21(23(26)13-20)18-5-4-17(22(25)12-18)10-11-24(27,14-28)15-32-33(29,30)31/h2-9,12-13,28H,10-11,14-15,27H2,1H3,(H2,29,30,31)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50315804
PNG
(2-amino-4-(3-chloro-4'-pentylbiphenyl-4-yl)-2-(hyd...)
Show SMILES CCCCCc1ccc(cc1)-c1ccc(CCC(N)(CO)COP(O)(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H31ClNO5P/c1-2-3-4-5-17-6-8-18(9-7-17)20-11-10-19(21(23)14-20)12-13-22(24,15-25)16-29-30(26,27)28/h6-11,14,25H,2-5,12-13,15-16,24H2,1H3,(H2,26,27,28)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM50315813
PNG
(2-Amino-4-(4'-benzyloxy-2'-fluorobiphenyl-4-yl)-2-...)
Show SMILES NC(CO)(CCc1ccc(cc1)-c1ccc(OCc2ccccc2)cc1F)COP(O)(O)=O
Show InChI InChI=1S/C24H27FNO6P/c25-23-14-21(31-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-32-33(28,29)30/h1-11,14,27H,12-13,15-17,26H2,(H2,28,29,30)
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Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization


J Med Chem 53: 3154-68 (2010)


Article DOI: 10.1021/jm901776q
BindingDB Entry DOI: 10.7270/Q2HH6K7W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%