BDBM50243029 2-Furan-2-yl-7-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469674

SMILES: COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1

InChI Key: InChIKey=WOQYUHFMBSSZLC-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 = 50243029   

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 A2a (Homo sapiens (Human))	BDBM50243029 (2-Furan-2-yl-7-[2-(7-methoxy-3,4-dihydro-1H-isoqui...) Show SMILES COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 Show InChI InChI=1S/C22H22N8O2/c1-31-16-5-4-14-6-7-28(13-15(14)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2A receptor				Bioorg Med Chem Lett 18: 4204-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.069 BindingDB Entry DOI: 10.7270/Q2JS9Q7R
					More data for this Ligand-Target Pair