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BDBM50148393 CHEMBL119349::[3-(10-Phenyl-decylamino)-propyl]-phosphonic acid

SMILES: OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1

InChI Key: InChIKey=LVLCOLBUGCDLPB-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50148393   
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))
BDBM50148393
PNG
(CHEMBL119349 | [3-(10-Phenyl-decylamino)-propyl]-p...)
Show SMILES OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C19H34NO3P/c21-24(22,23)18-12-17-20-16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,1-6,8,11-13,16-18H2,(H2,21,22,23)
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Article
PubMed
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 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))
BDBM50148393
PNG
(CHEMBL119349 | [3-(10-Phenyl-decylamino)-propyl]-p...)
Show SMILES OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C19H34NO3P/c21-24(22,23)18-12-17-20-16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,1-6,8,11-13,16-18H2,(H2,21,22,23)
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PubMed
n/an/a 0.910n/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))
BDBM50148393
PNG
(CHEMBL119349 | [3-(10-Phenyl-decylamino)-propyl]-p...)
Show SMILES OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C19H34NO3P/c21-24(22,23)18-12-17-20-16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,1-6,8,11-13,16-18H2,(H2,21,22,23)
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PubMed
n/an/a 59n/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 1


(Homo sapiens (Human))
BDBM50148393
PNG
(CHEMBL119349 | [3-(10-Phenyl-decylamino)-propyl]-p...)
Show SMILES OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C19H34NO3P/c21-24(22,23)18-12-17-20-16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,1-6,8,11-13,16-18H2,(H2,21,22,23)
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PubMed
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 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))
BDBM50148393
PNG
(CHEMBL119349 | [3-(10-Phenyl-decylamino)-propyl]-p...)
Show SMILES OP(O)(=O)CCCNCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C19H34NO3P/c21-24(22,23)18-12-17-20-16-11-6-4-2-1-3-5-8-13-19-14-9-7-10-15-19/h7,9-10,14-15,20H,1-6,8,11-13,16-18H2,(H2,21,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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