BDBM50243657 2-Furan-2-yl-7-[2-(4-methoxy-1,3-dihydro-isoindol-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL471924

SMILES: COc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12

InChI Key: InChIKey=XFWXNSGRFYLZFS-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 = 50243657   

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))	BDBM50243657 (2-Furan-2-yl-7-[2-(4-methoxy-1,3-dihydro-isoindol-...) Show SMILES COc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 Show InChI InChI=1S/C21H20N8O2/c1-30-16-5-2-4-13-11-27(12-15(13)16)7-8-28-19-14(10-23-28)20-24-18(17-6-3-9-31-17)26-29(20)21(22)25-19/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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