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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 = 50202577   
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))
BDBM50202577
PNG
(1-deoxy-1-{2-chloro-6-[N'-(furan-2-carbonyl)-hydra...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccco3)nc(Cl)nc12
Show InChI InChI=1S/C17H18ClN7O6/c1-2-19-15(29)11-9(26)10(27)16(31-11)25-6-20-8-12(21-17(18)22-13(8)25)23-24-14(28)7-4-3-5-30-7/h3-6,9-11,16,26-27H,2H2,1H3,(H,19,29)(H,24,28)(H,21,22,23)/t9-,10+,11-,16+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.95E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells


J Med Chem 50: 374-80 (2007)


Article DOI: 10.1021/jm061170a
BindingDB Entry DOI: 10.7270/Q2F76DDP
More data for this
Ligand-Target Pair