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BDBM50249265 (R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate::CHEMBL474418

SMILES: C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=YWXALJUJDPVVHS-SANMLTNESA-N

Data: 4 IC50  2 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 6 hits for monomerid = 50249265   
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))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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PubMed
n/an/a 7.70n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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n/an/an/an/a 54.8n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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n/an/a 26.9n/an/an/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50249265
PNG
((R)-2-amino-2-(4-(4-(2-(biphenyl-4-yl)ethoxy)pheny...)
Show SMILES C[C@](N)(COP(O)(O)=O)c1nc(c[nH]1)-c1ccc(OCCc2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N3O5P/c1-26(27,18-34-35(30,31)32)25-28-17-24(29-25)22-11-13-23(14-12-22)33-16-15-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-14,17H,15-16,18,27H2,1H3,(H,28,29)(H2,30,31,32)/t26-/m0/s1
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PubMed
n/an/an/an/a 2.20n/an/an/an/a



Praecis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2315-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.073
BindingDB Entry DOI: 10.7270/Q2XD11KJ
More data for this
Ligand-Target Pair