BDBM50092749 CHEMBL3586324

SMILES: COc1cc(cc2CN(Cc3cccc(c3)C#N)CCOc12)-c1csc2ccccc12

InChI Key: InChIKey=UXAHKDYRRLVTBS-SJLPKXTDSA-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 = 50092749   

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))	BDBM50092749 (CHEMBL3586324) Show SMILES COc1cc(cc2CN(Cc3cccc(c3)C#N)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,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	100	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))	BDBM50092749 (CHEMBL3586324) Show SMILES COc1cc(cc2CN(Cc3cccc(c3)C#N)CCOc12)-c1csc2ccccc12 Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,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	1.00E+3	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