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BDBM50315966 3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide::CHEMBL1092431

SMILES: Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1

InChI Key: InChIKey=WLWLJPIELFZZBY-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50315966   
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
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50315966
PNG
(3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-y...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
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Article
PubMed
0.510n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50315966
PNG
(3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-y...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
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Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50315966
PNG
(3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-y...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50315966
PNG
(3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-y...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
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PC sid
UniChem

Patents


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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50315966
PNG
(3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-y...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccc(c2)C#N)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C35H28F2N2O5S/c36-32-14-13-31(21-33(32)37)45(41,42)39-35(40)15-12-28-11-9-26(23-44-30-7-3-4-25(19-30)22-38)20-34(28)43-17-16-24-8-10-27-5-1-2-6-29(27)18-24/h1-11,13-14,18-21H,12,15-17,23H2,(H,39,40)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level after...


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair