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

PDB links: 1 PDB ID matches this monomer.

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)	Ligand	Target/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	pH	Temp °C
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50293496 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50293496 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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 (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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/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				3D Structure (crystal)