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BDBM50159765 (E)-3-{2-[3-(2-Benzyloxy-3-methoxy-phenyl)-propyl]-phenyl}-acrylic acid::CHEMBL181691

SMILES: COc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1

InChI Key: InChIKey=VERBESGORYHQNN-ISLYRVAYSA-N

Data: 4 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 4 hits for monomerid = 50159765   
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))
BDBM50159765
PNG
((E)-3-{2-[3-(2-Benzyloxy-3-methoxy-phenyl)-propyl]...)
Show SMILES COc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O4/c1-29-24-16-8-15-23(26(24)30-19-20-9-3-2-4-10-20)14-7-13-21-11-5-6-12-22(21)17-18-25(27)28/h2-6,8-12,15-18H,7,13-14,19H2,1H3,(H,27,28)/b18-17+
PDB

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PC cid
PC sid
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Similars

Article
PubMed
19n/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 EP2 subtype


(Homo sapiens (Human))
BDBM50159765
PNG
((E)-3-{2-[3-(2-Benzyloxy-3-methoxy-phenyl)-propyl]...)
Show SMILES COc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O4/c1-29-24-16-8-15-23(26(24)30-19-20-9-3-2-4-10-20)14-7-13-21-11-5-6-12-22(21)17-18-25(27)28/h2-6,8-12,15-18H,7,13-14,19H2,1H3,(H,27,28)/b18-17+
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Article
PubMed
1.10E+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 EP4 subtype


(Homo sapiens (Human))
BDBM50159765
PNG
((E)-3-{2-[3-(2-Benzyloxy-3-methoxy-phenyl)-propyl]...)
Show SMILES COc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O4/c1-29-24-16-8-15-23(26(24)30-19-20-9-3-2-4-10-20)14-7-13-21-11-5-6-12-22(21)17-18-25(27)28/h2-6,8-12,15-18H,7,13-14,19H2,1H3,(H,27,28)/b18-17+
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Article
PubMed
4.30E+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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50159765
PNG
((E)-3-{2-[3-(2-Benzyloxy-3-methoxy-phenyl)-propyl]...)
Show SMILES COc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O4/c1-29-24-16-8-15-23(26(24)30-19-20-9-3-2-4-10-20)14-7-13-21-11-5-6-12-22(21)17-18-25(27)28/h2-6,8-12,15-18H,7,13-14,19H2,1H3,(H,27,28)/b18-17+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>9.00E+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 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