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BDBM50193919 3-(2-(3-(2-(benzyloxy)-5-methylphenyl)propyl)phenyl)-N-(thiophen-2-ylsulfonyl)propanamide::CHEMBL220821

SMILES: Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=HGXLFRQXTJDGCO-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 = 50193919   
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))
BDBM50193919
PNG
(3-(2-(3-(2-(benzyloxy)-5-methylphenyl)propyl)pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H31NO4S2/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/h2-6,8-12,15-16,18,20-21H,7,13-14,17,19,22H2,1H3,(H,31,32)
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PC cid
PC sid
UniChem
Article
PubMed
56n/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))
BDBM50193919
PNG
(3-(2-(3-(2-(benzyloxy)-5-methylphenyl)propyl)pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H31NO4S2/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/h2-6,8-12,15-16,18,20-21H,7,13-14,17,19,22H2,1H3,(H,31,32)
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1.00E+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))
BDBM50193919
PNG
(3-(2-(3-(2-(benzyloxy)-5-methylphenyl)propyl)pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H31NO4S2/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/h2-6,8-12,15-16,18,20-21H,7,13-14,17,19,22H2,1H3,(H,31,32)
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1.60E+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))
BDBM50193919
PNG
(3-(2-(3-(2-(benzyloxy)-5-methylphenyl)propyl)pheny...)
Show SMILES Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H31NO4S2/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/h2-6,8-12,15-16,18,20-21H,7,13-14,17,19,22H2,1H3,(H,31,32)
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.70E+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