BDBM50333740 3-(4-(2-(2-(2,6-dichlorophenyl)acetamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide::CHEMBL1644019

SMILES: CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=XDELQGDTMHXIBN-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 = 50333740   

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))	BDBM50333740 (3-(4-(2-(2-(2,6-dichlorophenyl)acetamido)ethyl)phe...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C29H28Cl2N2O2S/c1-17-14-18(2)27-22(15-17)26(28(36-27)29(35)33(3)4)20-10-8-19(9-11-20)12-13-32-25(34)16-21-23(30)6-5-7-24(21)31/h5-11,14-15H,12-13,16H2,1-4H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50333740 (3-(4-(2-(2-(2,6-dichlorophenyl)acetamido)ethyl)phe...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C29H28Cl2N2O2S/c1-17-14-18(2)27-22(15-17)26(28(36-27)29(35)33(3)4)20-10-8-19(9-11-20)12-13-32-25(34)16-21-23(30)6-5-7-24(21)31/h5-11,14-15H,12-13,16H2,1-4H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50333740 (3-(4-(2-(2-(2,6-dichlorophenyl)acetamido)ethyl)phe...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)Cc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C29H28Cl2N2O2S/c1-17-14-18(2)27-22(15-17)26(28(36-27)29(35)33(3)4)20-10-8-19(9-11-20)12-13-32-25(34)16-21-23(30)6-5-7-24(21)31/h5-11,14-15H,12-13,16H2,1-4H3,(H,32,34)	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 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