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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine Receptor A2A' and Monomerid = 50125927   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50125927
PNG
(2-[5-(4-Methyl-piperazin-1-ylmethyl)-furan-2-yl]-7...)
Show SMILES CN1CCN(Cc2ccc(o2)-c2nc3c4cnn(CCc5ccccc5)c4nc(N)n3n2)CC1
Show InChI InChI=1S/C24H27N9O/c1-30-11-13-31(14-12-30)16-18-7-8-20(34-18)21-27-23-19-15-26-32(10-9-17-5-3-2-4-6-17)22(19)28-24(25)33(23)29-21/h2-8,15H,9-14,16H2,1H3,(H2,25,28)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair