BDBM50092750 CHEMBL3586321

SMILES: COc1cc(cc2CN(Cc3ccc(cc3)C#N)CCOc12)-c1csc2ccccc12

InChI Key: InChIKey=UZRUJFBBAHISJF-QZTJIDSGSA-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 = 50092750   

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))	BDBM50092750 (CHEMBL3586321) Show SMILES COc1cc(cc2CN(Cc3ccc(cc3)C#N)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C19H23N3/c1-2-6-16(7-3-1)18-14-17(18)15-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h1-9,17-18H,10-15H2/t17-,18-/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	600	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))	BDBM50092750 (CHEMBL3586321) Show SMILES COc1cc(cc2CN(Cc3ccc(cc3)C#N)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C19H23N3/c1-2-6-16(7-3-1)18-14-17(18)15-21-10-12-22(13-11-21)19-8-4-5-9-20-19/h1-9,17-18H,10-15H2/t17-,18-/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	>3.00E+4	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