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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50148418   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
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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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes


J Med Chem 60: 5267-5289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01575
BindingDB Entry DOI: 10.7270/Q2930WM8
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 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 2.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes


J Med Chem 60: 5267-5289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01575
BindingDB Entry DOI: 10.7270/Q2930WM8
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 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))
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
Lysophosphatidic acid 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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PubMed
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))
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