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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for monomerid = 50133425   
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 5


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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PubMed
n/an/an/an/a 52n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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PubMed
n/an/an/an/a 58n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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Article
PubMed
n/an/an/an/a 120n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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PubMed
n/an/an/an/a 450n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 480n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 500n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair