BDBM50202999 2-furan-2-yl-7-{2-[4-(2,4,6-trifluoro-phenyl)-piperazin-1-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL239809

SMILES: Nc1nc2n(CCN3CCN(CC3)c3c(F)cc(F)cc3F)ncc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=JUBAYSLJFPEAFH-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 = 50202999   

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))	BDBM50202999 (2-furan-2-yl-7-{2-[4-(2,4,6-trifluoro-phenyl)-pipe...) Show SMILES Nc1nc2n(CCN3CCN(CC3)c3c(F)cc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C22H20F3N9O/c23-13-10-15(24)18(16(25)11-13)32-6-3-31(4-7-32)5-8-33-20-14(12-27-33)21-28-19(17-2-1-9-35-17)30-34(21)22(26)29-20/h1-2,9-12H,3-8H2,(H2,26,29)	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	1.10	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 Binding affinity to human adenosine A2A receptor				Bioorg Med Chem Lett 17: 1376-80 (2007) Article DOI: 10.1016/j.bmcl.2006.11.083 BindingDB Entry DOI: 10.7270/Q27H1J8J
					More data for this Ligand-Target Pair