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BDBM50159775 3-{2-[2-(2-Benzyloxy-3-methyl-phenyl)-cyclopropyl]-phenyl}-propionic acid::CHEMBL180752

SMILES: Cc1cccc(C2CC2c2ccccc2CCC(O)=O)c1OCc1ccccc1

InChI Key: InChIKey=UQFMMXIEBQVORL-UHFFFAOYSA-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 = 50159775   
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))
BDBM50159775
PNG
(3-{2-[2-(2-Benzyloxy-3-methyl-phenyl)-cyclopropyl]...)
Show SMILES Cc1cccc(C2CC2c2ccccc2CCC(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O3/c1-18-8-7-13-22(26(18)29-17-19-9-3-2-4-10-19)24-16-23(24)21-12-6-5-11-20(21)14-15-25(27)28/h2-13,23-24H,14-17H2,1H3,(H,27,28)
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PC cid
PC sid
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Article
PubMed
41n/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))
BDBM50159775
PNG
(3-{2-[2-(2-Benzyloxy-3-methyl-phenyl)-cyclopropyl]...)
Show SMILES Cc1cccc(C2CC2c2ccccc2CCC(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O3/c1-18-8-7-13-22(26(18)29-17-19-9-3-2-4-10-19)24-16-23(24)21-12-6-5-11-20(21)14-15-25(27)28/h2-13,23-24H,14-17H2,1H3,(H,27,28)
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990n/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))
BDBM50159775
PNG
(3-{2-[2-(2-Benzyloxy-3-methyl-phenyl)-cyclopropyl]...)
Show SMILES Cc1cccc(C2CC2c2ccccc2CCC(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O3/c1-18-8-7-13-22(26(18)29-17-19-9-3-2-4-10-19)24-16-23(24)21-12-6-5-11-20(21)14-15-25(27)28/h2-13,23-24H,14-17H2,1H3,(H,27,28)
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1.70E+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))
BDBM50159775
PNG
(3-{2-[2-(2-Benzyloxy-3-methyl-phenyl)-cyclopropyl]...)
Show SMILES Cc1cccc(C2CC2c2ccccc2CCC(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O3/c1-18-8-7-13-22(26(18)29-17-19-9-3-2-4-10-19)24-16-23(24)21-12-6-5-11-20(21)14-15-25(27)28/h2-13,23-24H,14-17H2,1H3,(H,27,28)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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