BDBM50016953 TAPRENEPAG::Taprenepag

SMILES: OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1

InChI Key: InChIKey=MFFBXYNKZHTCEY-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50016953   

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))	BDBM50016953 (TAPRENEPAG | Taprenepag) Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	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 (Homo sapiens (Human))	BDBM50016953 (TAPRENEPAG | Taprenepag) Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	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 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 EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50016953 (TAPRENEPAG | Taprenepag) Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	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 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 EP4 subtype (Homo sapiens (Human))	BDBM50016953 (TAPRENEPAG | Taprenepag) Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	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
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50016953 (TAPRENEPAG | Taprenepag) Show SMILES OC(=O)COc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.80	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)