BDBM50202787 8-(furan-2-yl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL248300

SMILES: Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=QHNCBTPYZDQNIK-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 = 50202787   

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))	BDBM50202787 (8-(furan-2-yl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H23N9O/c23-22-26-20-18(21-25-19(27-31(21)22)17-7-4-14-32-17)24-15-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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 17: 1659-62 (2007) Article DOI: 10.1016/j.bmcl.2006.12.104 BindingDB Entry DOI: 10.7270/Q2RF5TPQ
					More data for this Ligand-Target Pair