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BDBM50117693 CHEMBL87975::Thiophene-2-sulfonic acid {2,2-dimethyl-3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionyl}-amide

SMILES: Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=MZITZRIMWCHQRY-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50117693   
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))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
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PC cid
PC sid
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Similars

PubMed
440n/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))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
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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 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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
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PubMed
1.80E+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
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117693
PNG
(CHEMBL87975 | Thiophene-2-sulfonic acid {2,2-dimet...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CC(C)(C)C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C31H33NO5S2/c1-23-9-6-11-27(21-23)37-19-8-18-36-26-16-14-24(15-17-26)28-12-5-4-10-25(28)22-31(2,3)30(33)32-39(34,35)29-13-7-20-38-29/h4-7,9-17,20-21H,8,18-19,22H2,1-3H3,(H,32,33)
PDB

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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