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BDBM50314403 (R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propyl dihydrogen phosphate::CHEMBL1089004

SMILES: CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O

InChI Key: InChIKey=ZOJBKIGIQRVLGZ-RTWAWAEBSA-N

Data: 4 EC50

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 4 hits for monomerid = 50314403   
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 1


(Homo sapiens (Human))
BDBM50314403
PNG
((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 0.0880n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50314403
PNG
((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1
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Article
PubMed
n/an/an/an/a 38.2n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50314403
PNG
((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 5.62n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50314403
PNG
((R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht...)
Show SMILES CCCCCCCCc1ccc2C[C@@H](CCc2c1)[C@@](C)(N)COP(O)(O)=O
Show InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12-18(19)14-17)21(2,22)16-26-27(23,24)25/h10-11,14,20H,3-9,12-13,15-16,22H2,1-2H3,(H2,23,24,25)/t20-,21+/m1/s1
NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.150n/an/an/an/a



BiogenIdec Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay


Bioorg Med Chem Lett 20: 2264-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.006
BindingDB Entry DOI: 10.7270/Q2JS9QJS
More data for this
Ligand-Target Pair