BDBM50335999 2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide::CHEMBL1669026
SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(C)cccc2C)cc1C
InChI Key: InChIKey=BHZQADXHKGWFSX-UHFFFAOYSA-N
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)) | BDBM50335999 (2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.400 | 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)) | BDBM50335999 (2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60 | 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)) | BDBM50335999 (2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 19 | 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)) | BDBM50335999 (2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 77 | 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 EP4 receptor in human whole blood assessed as blockade of inhibition of TNFalpha-induced IP10 release | 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)) | BDBM50335999 (2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.20 | 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 |