BDBM50335992 CHEMBL1669006::N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)-2-(trifluoromethyl)benzenesulfonamide

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C

InChI Key: InChIKey=FIJIVZIKFVDSEW-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 = 50335992   

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))	BDBM50335992 (CHEMBL1669006 | 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)c2ccccc2C(F)(F)F)cc1C Show InChI InChI=1S/C35H34F3N3O6S/c1-4-46-30-23-10-6-7-11-24(23)31(47-5-2)29-25(30)20-41(32(29)42)27-15-14-22(18-21(27)3)19-34(16-17-34)39-33(43)40-48(44,45)28-13-9-8-12-26(28)35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.390	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))	BDBM50335992 (CHEMBL1669006 | 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)c2ccccc2C(F)(F)F)cc1C Show InChI InChI=1S/C35H34F3N3O6S/c1-4-46-30-23-10-6-7-11-24(23)31(47-5-2)29-25(30)20-41(32(29)42)27-15-14-22(18-21(27)3)19-34(16-17-34)39-33(43)40-48(44,45)28-13-9-8-12-26(28)35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(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	28	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
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50335992 (CHEMBL1669006 | 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)c2ccccc2C(F)(F)F)cc1C Show InChI InChI=1S/C35H34F3N3O6S/c1-4-46-30-23-10-6-7-11-24(23)31(47-5-2)29-25(30)20-41(32(29)42)27-15-14-22(18-21(27)3)19-34(16-17-34)39-33(43)40-48(44,45)28-13-9-8-12-26(28)35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(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	3.30	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))	BDBM50335992 (CHEMBL1669006 | 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)c2ccccc2C(F)(F)F)cc1C Show InChI InChI=1S/C35H34F3N3O6S/c1-4-46-30-23-10-6-7-11-24(23)31(47-5-2)29-25(30)20-41(32(29)42)27-15-14-22(18-21(27)3)19-34(16-17-34)39-33(43)40-48(44,45)28-13-9-8-12-26(28)35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,39,40,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	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