BDBM50333746 3-(4-(2-(dimethylcarbamoyl)-5,7-dimethylbenzo[b]thiophen-3-yl)phenyl)propanoic acid::CHEMBL1644001

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

InChI Key: InChIKey=QLWJDADNAVASIE-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 = 50333746   

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))	BDBM50333746 (3-(4-(2-(dimethylcarbamoyl)-5,7-dimethylbenzo[b]th...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C22H23NO3S/c1-13-11-14(2)20-17(12-13)19(21(27-20)22(26)23(3)4)16-8-5-15(6-9-16)7-10-18(24)25/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50333746 (3-(4-(2-(dimethylcarbamoyl)-5,7-dimethylbenzo[b]th...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C22H23NO3S/c1-13-11-14(2)20-17(12-13)19(21(27-20)22(26)23(3)4)16-8-5-15(6-9-16)7-10-18(24)25/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,24,25)	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
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50333746 (3-(4-(2-(dimethylcarbamoyl)-5,7-dimethylbenzo[b]th...) Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C22H23NO3S/c1-13-11-14(2)20-17(12-13)19(21(27-20)22(26)23(3)4)16-8-5-15(6-9-16)7-10-18(24)25/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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