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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50316890'   
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))
BDBM50316890
PNG
(8-(2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy)-2-ami...)
Show SMILES Nc1nc2-c3cc(OCCN4C5CCC4CC5)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35.1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair