BDBM50092760 CHEMBL3586312

SMILES: COc1cc(cc2CN(Cc3cncnc3)CCOc12)-c1csc2ccccc12

InChI Key: InChIKey=AJKCXWJAJVDPNV-UYAOXDASSA-N

Data: 2 IC50

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 = 50092760   

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 EP2 subtype (Homo sapiens (Human))	BDBM50092760 (CHEMBL3586312) Show SMILES COc1cc(cc2CN(Cc3cncnc3)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay				J Med Chem 58: 5256-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00567 BindingDB Entry DOI: 10.7270/Q2416ZSC
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50092760 (CHEMBL3586312) Show SMILES COc1cc(cc2CN(Cc3cncnc3)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production				J Med Chem 58: 5256-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00567 BindingDB Entry DOI: 10.7270/Q2416ZSC
					More data for this Ligand-Target Pair