BDBM50258307 CHEMBL4085701

SMILES: CCC(NC(=O)c1cnn2cc(Cl)cnc12)c1ccc(OC)cc1

InChI Key: InChIKey=HQMXRXDKESFKAQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50258307   

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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50258307 (CHEMBL4085701) Show SMILES CCC(NC(=O)c1cnn2cc(Cl)cnc12)c1ccc(OC)cc1 Show InChI InChI=1S/C17H17ClN4O2/c1-3-15(11-4-6-13(24-2)7-5-11)21-17(23)14-9-20-22-10-12(18)8-19-16(14)22/h4-10,15H,3H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin)				J Med Chem 60: 7658-7676 (2017) Article DOI: 10.1021/acs.jmedchem.7b00709 BindingDB Entry DOI: 10.7270/Q2TT4TD5
					More data for this Ligand-Target Pair