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BDBM50193930 3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-2-ylsulfonyl)acrylamide::CHEMBL384878

SMILES: O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1

InChI Key: InChIKey=PEXWYCRWRXGYBH-XIFKOZHTSA-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 = 50193930   
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))
BDBM50193930
PNG
(3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-9,11-17H,10H2,(H,23,24)/b13-6+,16-15+
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PC cid
PC sid
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Article
PubMed
5n/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))
BDBM50193930
PNG
(3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-9,11-17H,10H2,(H,23,24)/b13-6+,16-15+
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Article
PubMed
1.50E+3n/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))
BDBM50193930
PNG
(3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-9,11-17H,10H2,(H,23,24)/b13-6+,16-15+
PDB

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Article
PubMed
8.00E+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))
BDBM50193930
PNG
(3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-9,11-17H,10H2,(H,23,24)/b13-6+,16-15+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.50E+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