BDBM50333730 CHEMBL1644009::N,5,7-trimethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide

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

InChI Key: InChIKey=JIEGLGMKBRORCA-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 = 50333730   

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))	BDBM50333730 (CHEMBL1644009 | N,5,7-trimethyl-3-(4-(2-(3-tosylur...) Show SMILES CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H29N3O4S2/c1-17-5-11-22(12-6-17)37(34,35)31-28(33)30-14-13-20-7-9-21(10-8-20)24-23-16-18(2)15-19(3)25(23)36-26(24)27(32)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H2,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 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))	BDBM50333730 (CHEMBL1644009 | N,5,7-trimethyl-3-(4-(2-(3-tosylur...) Show SMILES CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H29N3O4S2/c1-17-5-11-22(12-6-17)37(34,35)31-28(33)30-14-13-20-7-9-21(10-8-20)24-23-16-18(2)15-19(3)25(23)36-26(24)27(32)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H2,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	134	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))	BDBM50333730 (CHEMBL1644009 | N,5,7-trimethyl-3-(4-(2-(3-tosylur...) Show SMILES CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C28H29N3O4S2/c1-17-5-11-22(12-6-17)37(34,35)31-28(33)30-14-13-20-7-9-21(10-8-20)24-23-16-18(2)15-19(3)25(23)36-26(24)27(32)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H2,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	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