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BDBM50202771 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL391953

SMILES: COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F

InChI Key: InChIKey=CEVZLVZUVYOURC-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 = 50202771   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50202771
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...)
Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/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