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BDBM50117687 CHEMBL314200::Thiophene-2-sulfonic acid {2-methyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionyl}-amide

SMILES: CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1

InChI Key: InChIKey=CCCNLSVRJPFWGZ-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50117687   
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))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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PC cid
PC sid
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PubMed
340n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50117687
PNG
(CHEMBL314200 | Thiophene-2-sulfonic acid {2-methyl...)
Show SMILES CC(Cc1ccccc1-c1ccc(OCCCOc2cccc(C)c2)cc1)C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C30H31NO5S2/c1-22-8-5-10-27(20-22)36-18-7-17-35-26-15-13-24(14-16-26)28-11-4-3-9-25(28)21-23(2)30(32)31-38(33,34)29-12-6-19-37-29/h3-6,8-16,19-20,23H,7,17-18,21H2,1-2H3,(H,31,32)
KEGG

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair