BDBM50333731 CHEMBL1644010::N-(4-(5,7-dimethyl-2-(pyrrolidine-1-carbonyl)benzo[b]thiophen-3-yl)phenethylcarbamoyl)-4-methylbenzenesulfonamide

SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N1CCCC1

InChI Key: InChIKey=NJOGEUTXBVFHJY-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 = 50333731   

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))	BDBM50333731 (CHEMBL1644010 | N-(4-(5,7-dimethyl-2-(pyrrolidine-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N1CCCC1 Show InChI InChI=1S/C31H33N3O4S2/c1-20-6-12-25(13-7-20)40(37,38)33-31(36)32-15-14-23-8-10-24(11-9-23)27-26-19-21(2)18-22(3)28(26)39-29(27)30(35)34-16-4-5-17-34/h6-13,18-19H,4-5,14-17H2,1-3H3,(H2,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	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))	BDBM50333731 (CHEMBL1644010 | N-(4-(5,7-dimethyl-2-(pyrrolidine-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N1CCCC1 Show InChI InChI=1S/C31H33N3O4S2/c1-20-6-12-25(13-7-20)40(37,38)33-31(36)32-15-14-23-8-10-24(11-9-23)27-26-19-21(2)18-22(3)28(26)39-29(27)30(35)34-16-4-5-17-34/h6-13,18-19H,4-5,14-17H2,1-3H3,(H2,32,33,36)	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 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))	BDBM50333731 (CHEMBL1644010 | N-(4-(5,7-dimethyl-2-(pyrrolidine-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N1CCCC1 Show InChI InChI=1S/C31H33N3O4S2/c1-20-6-12-25(13-7-20)40(37,38)33-31(36)32-15-14-23-8-10-24(11-9-23)27-26-19-21(2)18-22(3)28(26)39-29(27)30(35)34-16-4-5-17-34/h6-13,18-19H,4-5,14-17H2,1-3H3,(H2,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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