BDBM50333725 3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide::CHEMBL1644004

SMILES: CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=YZAQXCXJBZNAJC-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50333725   

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))	BDBM50333725 (3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50333725 (3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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))	BDBM50333725 (3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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