BDBM50170829 CHEMBL188541::N*6*-Ethyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine

SMILES: CCNc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12

InChI Key: InChIKey=KKZBKTXGNJMFDU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50170829   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50170829 (CHEMBL188541 | N*6*-Ethyl-N*2*-(4-morpholin-4-yl-p...) Show SMILES CCNc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C17H21N7O/c1-2-18-15-14-16(20-11-19-14)23-17(22-15)21-12-3-5-13(6-4-12)24-7-9-25-10-8-24/h3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells				J Med Chem 48: 4910-8 (2005) Article DOI: 10.1021/jm050221l BindingDB Entry DOI: 10.7270/Q2N58KWZ
					More data for this Ligand-Target Pair