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BDBM50134524 (E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-allyl]-phenyl}-acrylic acid::CHEMBL123794

SMILES: Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1

InChI Key: InChIKey=SHXKWDFUPJBYSD-PULAQXAZSA-N

Data: 8 KI

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 8 hits for monomerid = 50134524   
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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7n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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7n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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1.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP4 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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1.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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8.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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8.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP2 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
KEGG

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GoogleScholar
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP1 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair