BDBM50333748 CHEMBL1644003::N,N,5,7-tetramethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide

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

InChI Key: InChIKey=SBJWASMXBSBHSJ-UHFFFAOYSA-N

Data: 10 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 11 hits for monomerid = 50333748   

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))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	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))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 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
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	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 TP 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 (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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 EP3 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 EP2 subtype (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+3	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 EP2 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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.23E+3	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 CRTH2 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
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.70E+3	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 IP 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 F2-alpha receptor (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>8.70E+3	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 FP 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 EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.50E+3	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 EP1 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))	BDBM50333748 (CHEMBL1644003 | N,N,5,7-tetramethyl-3-(4-(2-(3-tos...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H31N3O4S2/c1-18-6-12-23(13-7-18)38(35,36)31-29(34)30-15-14-21-8-10-22(11-9-21)25-24-17-19(2)16-20(3)26(24)37-27(25)28(33)32(4)5/h6-13,16-17H,14-15H2,1-5H3,(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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