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BDBM50293496 2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid::CHEMBL563646

SMILES: CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1

InChI Key: InChIKey=WOHRHWDYFNWPNG-UHFFFAOYSA-N

Data: 5 KI  2 IC50  2 EC50

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 9 hits for monomerid = 50293496   
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 EP2 subtype


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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50n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to EP2 receptor (unknown origin) by competitive binding assay


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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>2.80E+3n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to EP1 receptor (unknown origin)


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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>2.80E+3n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor (unknown origin)


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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>3.20E+3n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor (unknown origin)


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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>3.20E+3n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid IP receptor (unknown origin)


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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n/an/a>3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.059
BindingDB Entry DOI: 10.7270/Q2PR7W18
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.059
BindingDB Entry DOI: 10.7270/Q2PR7W18
More data for this
Ligand-Target Pair
Prostanoid EP2 receptor


(Rattus norvegicus)
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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n/an/an/an/a 0.300n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against rat EP2 receptor expressed in HEK293 cells assessed as stimulation of cAMP release


Bioorg Med Chem Lett 19: 2075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.059
BindingDB Entry DOI: 10.7270/Q2PR7W18
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50293496
PNG
(2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamid...)
Show SMILES CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
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n/an/an/an/a 5n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at EP2 receptor (unknown origin) by functional assay


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair