BDBM50202768 8-(3-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246469

SMILES: COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1

InChI Key: InChIKey=QYRBEBQGYZLZSJ-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 = 50202768   

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))	BDBM50202768 (8-(3-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phe...) Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1 Show InChI InChI=1S/C27H30FN9O2/c1-38-15-16-39-22-7-5-21(6-8-22)35-12-9-34(10-13-35)11-14-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)19-3-2-4-20(28)17-19/h2-8,17-18H,9-16H2,1H3,(H2,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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