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4 similar compounds to monomer 50148394

Compile data set for download or QSAR
Wt: 389.4
BDBM50148413
Wt: 369.4
BDBM50148416
Wt: 341.4
BDBM50148418
Wt: 338.4
BDBM50148402

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50148413,50148416,50148418,50148402   
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 3


(Homo sapiens (Human))
BDBM50148413
PNG
(CHEMBL116981 | {3-[(4'-Hexyl-biphenyl-4-ylmethyl)-...)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C22H32NO3P/c1-2-3-4-5-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-23-16-6-17-27(24,25)26/h8-15,23H,2-7,16-18H2,1H3,(H2,24,25,26)
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n/an/a 180n/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 Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148413
PNG
(CHEMBL116981 | {3-[(4'-Hexyl-biphenyl-4-ylmethyl)-...)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C22H32NO3P/c1-2-3-4-5-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-23-16-6-17-27(24,25)26/h8-15,23H,2-7,16-18H2,1H3,(H2,24,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50148418
PNG
(CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...)
Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
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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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50148416
PNG
(CHEMBL115970 | [3-(4-Nonanoyl-benzylamino)-propyl]...)
Show SMILES CCCCCCCCC(=O)c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
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n/an/a 0.900n/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))
BDBM50148416
PNG
(CHEMBL115970 | [3-(4-Nonanoyl-benzylamino)-propyl]...)
Show SMILES CCCCCCCCC(=O)c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
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n/an/a 8.60E+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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148413
PNG
(CHEMBL116981 | {3-[(4'-Hexyl-biphenyl-4-ylmethyl)-...)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C22H32NO3P/c1-2-3-4-5-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-23-16-6-17-27(24,25)26/h8-15,23H,2-7,16-18H2,1H3,(H2,24,25,26)
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n/an/a 120n/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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148416
PNG
(CHEMBL115970 | [3-(4-Nonanoyl-benzylamino)-propyl]...)
Show SMILES CCCCCCCCC(=O)c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
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n/an/a 250n/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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50148418
PNG
(CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...)
Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
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n/an/a 26n/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 2


(Homo sapiens (Human))
BDBM50148413
PNG
(CHEMBL116981 | {3-[(4'-Hexyl-biphenyl-4-ylmethyl)-...)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C22H32NO3P/c1-2-3-4-5-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-23-16-6-17-27(24,25)26/h8-15,23H,2-7,16-18H2,1H3,(H2,24,25,26)
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n/an/a 3.40E+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 3


(Homo sapiens (Human))
BDBM50148418
PNG
(CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...)
Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
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n/an/a 21n/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))
BDBM50148418
PNG
(CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...)
Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
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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))
BDBM50148413
PNG
(CHEMBL116981 | {3-[(4'-Hexyl-biphenyl-4-ylmethyl)-...)
Show SMILES CCCCCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C22H32NO3P/c1-2-3-4-5-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-23-16-6-17-27(24,25)26/h8-15,23H,2-7,16-18H2,1H3,(H2,24,25,26)
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n/an/a 0.900n/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))
BDBM50148402
PNG
(hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...)
Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1
Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1
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n/an/a 12n/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: 3495-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.069
BindingDB Entry DOI: 10.7270/Q2SF2WRM
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50148402
PNG
(hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...)
Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1
Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1
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n/an/a 900n/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: 3495-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.069
BindingDB Entry DOI: 10.7270/Q2SF2WRM
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50148402
PNG
(hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...)
Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1
Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1
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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: 3495-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.069
BindingDB Entry DOI: 10.7270/Q2SF2WRM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50148402
PNG
(hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...)
Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1
Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1
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n/an/a 1.00E+3n/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: 3495-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.069
BindingDB Entry DOI: 10.7270/Q2SF2WRM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148402
PNG
(hydrogen (3-{[(4-nonylphenyl)methyl]amino}propyl)p...)
Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)[O-])cc1
Show InChI InChI=1S/C19H33NO2P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(21)22/h11-14,20-21H,2-10,15-17H2,1H3/q-1
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n/an/a 140n/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: 3495-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.069
BindingDB Entry DOI: 10.7270/Q2SF2WRM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148416
PNG
(CHEMBL115970 | [3-(4-Nonanoyl-benzylamino)-propyl]...)
Show SMILES CCCCCCCCC(=O)c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
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n/an/a 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
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM50148418
PNG
(CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...)
Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)
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n/an/a 5.5n/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 3


(Homo sapiens (Human))
BDBM50148416
PNG
(CHEMBL115970 | [3-(4-Nonanoyl-benzylamino)-propyl]...)
Show SMILES CCCCCCCCC(=O)c1ccc(CNCCCP(O)(O)=O)cc1
Show InChI InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
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PubMed
n/an/a 260n/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