BDBM50333741 CHEMBL1644020::N,N,5,7-tetramethyl-3-(4-(2-(pyrimidin-2-ylamino)ethyl)phenyl)benzo[b]thiophene-2-carboxamide

SMILES: CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNc2ncccn2)cc1

InChI Key: InChIKey=JITDPABHFPFTJJ-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 = 50333741   

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))	BDBM50333741 (CHEMBL1644020 | N,N,5,7-tetramethyl-3-(4-(2-(pyrim...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNc2ncccn2)cc1 Show InChI InChI=1S/C25H26N4OS/c1-16-14-17(2)22-20(15-16)21(23(31-22)24(30)29(3)4)19-8-6-18(7-9-19)10-13-28-25-26-11-5-12-27-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.980	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))	BDBM50333741 (CHEMBL1644020 | N,N,5,7-tetramethyl-3-(4-(2-(pyrim...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNc2ncccn2)cc1 Show InChI InChI=1S/C25H26N4OS/c1-16-14-17(2)22-20(15-16)21(23(31-22)24(30)29(3)4)19-8-6-18(7-9-19)10-13-28-25-26-11-5-12-27-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	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))	BDBM50333741 (CHEMBL1644020 | N,N,5,7-tetramethyl-3-(4-(2-(pyrim...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNc2ncccn2)cc1 Show InChI InChI=1S/C25H26N4OS/c1-16-14-17(2)22-20(15-16)21(23(31-22)24(30)29(3)4)19-8-6-18(7-9-19)10-13-28-25-26-11-5-12-27-25/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	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