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BDBM50193927 3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-enyl)phenyl)-N-(thiophen-2-ylsulfonyl)acrylamide::CHEMBL218179

SMILES: Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=VQDKNZHEUFCAEA-ZXCYXOSYSA-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 = 50193927   
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))
BDBM50193927
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b13-7+,19-17+
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Article
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50193927
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b13-7+,19-17+
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960n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50193927
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b13-7+,19-17+
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2.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP2 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50193927
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b13-7+,19-17+
KEGG

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Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair