BDBM50372071 CHEMBL255529

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2cccc3ccccc23)cc1

InChI Key: InChIKey=ZMZINKRVQXLASF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50372071   

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))	BDBM50372071 (CHEMBL255529) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2cccc3ccccc23)cc1 Show InChI InChI=1S/C35H32N2O6S/c1-3-42-33-28-14-7-8-15-29(28)34(43-4-2)32-30(33)21-37(35(32)39)26-18-16-23(17-19-26)22-44(40,41)36-31(38)20-25-12-9-11-24-10-5-6-13-27(24)25/h5-19H,3-4,20-22H2,1-2H3,(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	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 human EP4 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50372071 (CHEMBL255529) Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2cccc3ccccc23)cc1 Show InChI InChI=1S/C35H32N2O6S/c1-3-42-33-28-14-7-8-15-29(28)34(43-4-2)32-30(33)21-37(35(32)39)26-18-16-23(17-19-26)22-44(40,41)36-31(38)20-25-12-9-11-24-10-5-6-13-27(24)25/h5-19H,3-4,20-22H2,1-2H3,(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	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 human EP4 receptor expressed in HEK293 cells in presence of 10% human serum				Bioorg Med Chem Lett 18: 2048-54 (2008) Article DOI: 10.1016/j.bmcl.2008.01.103 BindingDB Entry DOI: 10.7270/Q2J96770
					More data for this Ligand-Target Pair