BDBM50333737 3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide::CHEMBL1644016

SMILES: COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C

InChI Key: InChIKey=RFLCCBORSMQZKZ-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50333737   

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))	BDBM50333737 (3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl...) Show SMILES COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C Show InChI InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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 Binding affinity to EP4 receptor				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333737 (3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl...) Show SMILES COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C Show InChI InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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 Binding affinity to EP4 receptor in presence of 10% HSA				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333737 (3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl...) Show SMILES COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C Show InChI InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 Ratio of Ki for EP4 receptor to EP4 receptor in presence of 10% HSA				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333737 (3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl...) Show SMILES COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C Show InChI InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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 in HEK293 cells by cell-based functional assay				Bioorg Med Chem Lett 21: 734-7 (2011) Article DOI: 10.1016/j.bmcl.2010.11.118 BindingDB Entry DOI: 10.7270/Q22N52JP
					More data for this Ligand-Target Pair