new BindingDB logo
myBDB logout

BDBM50159758 3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-phenyl]-3-hydroxy-propenyl}-phenyl)-acrylic acid::CHEMBL360290

SMILES: Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl

InChI Key: InChIKey=ZUTBBKRPWXCWAZ-QUMQEAAQSA-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 = 50159758   
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))
BDBM50159758
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-9-20(26(17)32-16-21-22(27)10-5-11-23(21)28)24(29)14-12-18-7-2-3-8-19(18)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/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))
BDBM50159758
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-9-20(26(17)32-16-21-22(27)10-5-11-23(21)28)24(29)14-12-18-7-2-3-8-19(18)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+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 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))
BDBM50159758
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-9-20(26(17)32-16-21-22(27)10-5-11-23(21)28)24(29)14-12-18-7-2-3-8-19(18)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+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 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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50159758
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-9-20(26(17)32-16-21-22(27)10-5-11-23(21)28)24(29)14-12-18-7-2-3-8-19(18)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+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