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4 similar compounds to monomer 50148421

Compile data set for download or QSAR
Wt: 421.8
BDBM50148420
Wt: 371.4
BDBM50148433
Wt: 426.3
BDBM50148435
Wt: 357.4
BDBM50148437

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50148420,50148433,50148435,50148437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148435
PNG
(CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl
Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148420
PNG
(CHEMBL117715 | [3-(3-Chloro-5-methoxy-4-octyloxy-b...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33ClNO5P/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 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148433
PNG
(CHEMBL333335 | [3-(4-Nonyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
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n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148435
PNG
(CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl
Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148435
PNG
(CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl
Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)
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n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148420
PNG
(CHEMBL117715 | [3-(3-Chloro-5-methoxy-4-octyloxy-b...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33ClNO5P/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 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148420
PNG
(CHEMBL117715 | [3-(3-Chloro-5-methoxy-4-octyloxy-b...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33ClNO5P/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 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148433
PNG
(CHEMBL333335 | [3-(4-Nonyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148433
PNG
(CHEMBL333335 | [3-(4-Nonyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148435
PNG
(CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl
Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148437
PNG
(CHEMBL332373 | [3-(4-Octyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-14-23-18-11-9-17(10-12-18)16-19-13-8-15-24(20,21)22/h9-12,19H,2-8,13-16H2,1H3,(H2,20,21,22)
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n/an/a 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148437
PNG
(CHEMBL332373 | [3-(4-Octyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-14-23-18-11-9-17(10-12-18)16-19-13-8-15-24(20,21)22/h9-12,19H,2-8,13-16H2,1H3,(H2,20,21,22)
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148433
PNG
(CHEMBL333335 | [3-(4-Nonyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148437
PNG
(CHEMBL332373 | [3-(4-Octyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-14-23-18-11-9-17(10-12-18)16-19-13-8-15-24(20,21)22/h9-12,19H,2-8,13-16H2,1H3,(H2,20,21,22)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148420
PNG
(CHEMBL117715 | [3-(3-Chloro-5-methoxy-4-octyloxy-b...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33ClNO5P/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>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148437
PNG
(CHEMBL332373 | [3-(4-Octyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-14-23-18-11-9-17(10-12-18)16-19-13-8-15-24(20,21)22/h9-12,19H,2-8,13-16H2,1H3,(H2,20,21,22)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148437
PNG
(CHEMBL332373 | [3-(4-Octyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-14-23-18-11-9-17(10-12-18)16-19-13-8-15-24(20,21)22/h9-12,19H,2-8,13-16H2,1H3,(H2,20,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148433
PNG
(CHEMBL333335 | [3-(4-Nonyloxy-benzylamino)-propyl]...)
Show SMILES CCCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-15-24-19-12-10-18(11-13-19)17-20-14-9-16-25(21,22)23/h10-13,20H,2-9,14-17H2,1H3,(H2,21,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148435
PNG
(CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl
Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148420
PNG
(CHEMBL117715 | [3-(3-Chloro-5-methoxy-4-octyloxy-b...)
Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C19H33ClNO5P/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
Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Bioorg Med Chem Lett 14: 3501-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.070
BindingDB Entry DOI: 10.7270/Q2W66K76
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Ligand-Target Pair