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BDBM50117695 CHEMBL87263::Thiophene-2-sulfonic acid {3-[4'-(3-m-tolyloxy-propoxy)-biphenyl-2-yl]-propionyl}-amide

SMILES: Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=MBDRVYQWSDVANF-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 = 50117695   
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))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
PDB

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PC cid
PC sid
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Similars

PubMed
53n/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))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
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PubMed
1.60E+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))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
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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))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.60E+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