BDBM50335991 CHEMBL1669007::N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)naphthalene-2-sulfonamide

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C

InChI Key: InChIKey=IZGHIQSBSUJNDS-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50335991   

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 EP4 subtype (Homo sapiens (Human))	BDBM50335991 (CHEMBL1669007 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C Show InChI InChI=1S/C38H37N3O6S/c1-4-46-34-29-12-8-9-13-30(29)35(47-5-2)33-31(34)23-41(36(33)42)32-17-14-25(20-24(32)3)22-38(18-19-38)39-37(43)40-48(44,45)28-16-15-26-10-6-7-11-27(26)21-28/h6-17,20-21H,4-5,18-19,22-23H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay				Bioorg Med Chem Lett 21: 1041-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.014 BindingDB Entry DOI: 10.7270/Q2VH5P4H
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50335991 (CHEMBL1669007 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C Show InChI InChI=1S/C38H37N3O6S/c1-4-46-34-29-12-8-9-13-30(29)35(47-5-2)33-31(34)23-41(36(33)42)32-17-14-25(20-24(32)3)22-38(18-19-38)39-37(43)40-48(44,45)28-16-15-26-10-6-7-11-27(26)21-28/h6-17,20-21H,4-5,18-19,22-23H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay in pr...				Bioorg Med Chem Lett 21: 1041-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.014 BindingDB Entry DOI: 10.7270/Q2VH5P4H
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50335991 (CHEMBL1669007 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C Show InChI InChI=1S/C38H37N3O6S/c1-4-46-34-29-12-8-9-13-30(29)35(47-5-2)33-31(34)23-41(36(33)42)32-17-14-25(20-24(32)3)22-38(18-19-38)39-37(43)40-48(44,45)28-16-15-26-10-6-7-11-27(26)21-28/h6-17,20-21H,4-5,18-19,22-23H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells by scintillation counting				Bioorg Med Chem Lett 21: 1041-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.014 BindingDB Entry DOI: 10.7270/Q2VH5P4H
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50335991 (CHEMBL1669007 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc1C Show InChI InChI=1S/C38H37N3O6S/c1-4-46-34-29-12-8-9-13-30(29)35(47-5-2)33-31(34)23-41(36(33)42)32-17-14-25(20-24(32)3)22-38(18-19-38)39-37(43)40-48(44,45)28-16-15-26-10-6-7-11-27(26)21-28/h6-17,20-21H,4-5,18-19,22-23H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells by scintillation counting in presence of 10% human serum				Bioorg Med Chem Lett 21: 1041-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.014 BindingDB Entry DOI: 10.7270/Q2VH5P4H
					More data for this Ligand-Target Pair